[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-4,5-dimethoxy-benzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-4,5-dimethoxy-benzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 3-[(1,3-dioxoisoindolin-2-yl)methyl]-4,5-dimethoxy-benzoate CAS Name: 3-[(1,3-dioxo-2-isoindolyl)methyl]-4,5-dimethoxybenzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxybenzoate Traditional Name: 3,4-dimethoxy-5-(phthalimidomethyl)benzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C27H21N3O7 MolecularWeight: 499.47154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C27H21N3O7/c1-35-22-12-17(27(34)37-15-23(31)29-19-7-5-6-16(10-19)13-28)11-18(24(22)36-2)14-30-25(32)20-8-3-4-9-21(20)26(30)33/h3-12H,14-15H2,1-2H3,(H,29,31)