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(E)-{2-[4-(benzyloxy)-3-ethoxyphenyl]-1-[2-(diethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate

Catalog ID
STK598245
SMILES CCOc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[NH+](CC)CC

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C34H38N2O7 MW 586.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H38N2O7/c1-4-35(5-2)16-17-36-31(24-12-14-27(28(20-24)40-6-3)43-22-23-10-8-7-9-11-23)30(33(38)34(36)39)32(37)25-13-15-26-29(21-25)42-19-18-41-26/h7-15,20-21,31,37H,4-6,16-19,22H2,1-3H3/b32-30+
InChIKey
IDQQOLOULDLLQP-NHQGMKOOSA-N
Synonyms

(4E)1(2DIETHYLAMINOETHYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(diethylazaniumyl)ethyl)2(3ethoxy4phenylmethoxyphenyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(2(4(benzyloxy)3ethoxyphenyl)1(2(diethylammonio)ethyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
CC(NH+)(CC)CCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)(O))C(=O)C1=O)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OCC
CCOc1cc(ccc1OCc1ccccc1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CC(NH+)(CC)CC
InChI=1SC34H38N2O7c1435(52)16173631(24121427(28(2024)4063)432223108791123)30(33(38)34(36)39)32(37)2513152629(2125)4219184126h71520213137H46161922H213H3b3230+
MFCD07210241
ZINC000102624758
ZINC000102624762

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Available files

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