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

Catalog ID
STL049818
SMILES CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C1c1ccc(cc1)OCc1ccccc1)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 C33H36N2O6 MW 556.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36N2O6/c1-3-34(4-2)17-8-18-35-30(24-11-14-26(15-12-24)41-22-23-9-6-5-7-10-23)29(32(37)33(35)38)31(36)25-13-16-27-28(21-25)40-20-19-39-27/h5-7,9-16,21,30,36H,3-4,8,17-20,22H2,1-2H3/b31-29+
InChIKey
WILBKSAMCSNTGS-OWWNRXNESA-N
Synonyms
7037-59-4
(4E)1(3(DIETHYLAMINO)PROPYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(4PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2(4PHENYLMETHOXYPHENYL)PYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
(E)(2(4(benzyloxy)phenyl)1(3(diethylammonio)propyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
7037594
CC(NH+)(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)(O))C(=O)C1=O)C4=CC=C(C=C4)OCC5=CC=CC=C5
CC(NH+)(CCCN1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)(O))C1c1ccc(cc1)OCc1ccccc1)CC
InChI=1SC33H36N2O6c1334(42)178183530(24111426(151224)41222396571023)29(32(37)33(35)38)31(36)2513162728(2125)4020193927h57916213036H348172022H212H3b3129+
MFCD18249293
ZINC000102887589
ZINC000102887592

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Available files

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