2-[2-[3,4-bis(4-methoxyphenyl)-4-oxidanylidene-butanoyl]pyrrol-1-yl]ethanenitrile

Systemtic Name: 2-[2-[3,4-bis(4-methoxyphenyl)-4-oxidanylidene-butanoyl]pyrrol-1-yl]ethanenitrile Openeye Name: 2-[2-[3,4-bis(4-methoxyphenyl)-4-oxo-butanoyl]pyrrol-1-yl]acetonitrile CAS Name: 2-[2-[3,4-bis(4-methoxyphenyl)-1,4-dioxobutyl]-1-pyrrolyl]acetonitrile IUPAC Name: 2-[2-[3,4-bis(4-methoxyphenyl)-4-oxobutanoyl]pyrrol-1-yl]acetonitrile Traditional Name: 2-[2-[4-keto-3,4-bis(4-methoxyphenyl)butanoyl]pyrrol-1-yl]acetonitrile Formula: C24H22N2O4 MolecularWeight: 402.44248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)C2=CC=CN2CC#N)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(CC(=O)C2=CC=CN2CC#N)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H22N2O4/c1-29-19-9-5-17(6-10-19)21(24(28)18-7-11-20(30-2)12-8-18)16-23(27)22-4-3-14-26(22)15-13-25/h3-12,14,21H,15-16H2,1-2H3