diethyl 2,2-bis[(2E)-2-[5-oxidanylidene-1-(phenylmethyl)pyrrol-2-ylidene]ethyl]propanedioate

Systemtic Name: diethyl 2,2-bis[(2E)-2-[5-oxidanylidene-1-(phenylmethyl)pyrrol-2-ylidene]ethyl]propanedioate Openeye Name: diethyl 2,2-bis[(2E)-2-(1-benzyl-5-oxo-pyrrol-2-ylidene)ethyl]propanedioate CAS Name: 2,2-bis[(2E)-2-[5-oxo-1-(phenylmethyl)-2-pyrrolylidene]ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2,2-bis[(2E)-2-(1-benzyl-5-oxopyrrol-2-ylidene)ethyl]propanedioate Traditional Name: 2,2-bis[(2E)-2-(1-benzyl-5-keto-3-pyrrolin-2-ylidene)ethyl]malonic acid diethyl ester Formula: C33H34N2O6 MolecularWeight: 554.63286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=C1C=CC(=O)N1CC2=CC=CC=C2)(CC=C3C=CC(=O)N3CC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)(C/C=C\1/N(C(=O)C=C1)CC2=CC=CC=C2)C/C=C\3/N(C(=O)C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C33H34N2O6/c1-3-40-31(38)33(32(39)41-4-2,21-19-27-15-17-29(36)34(27)23-25-11-7-5-8-12-25)22-20-28-16-18-30(37)35(28)24-26-13-9-6-10-14-26/h5-20H,3-4,21-24H2,1-2H3/b27-19+,28-20+