methyl 4-[[2-(3-oxidanylidene-1H-isoindol-2-yl)-3-phenyl-propanoyl]amino]benzoate

Systemtic Name: methyl 4-[[2-(3-oxidanylidene-1H-isoindol-2-yl)-3-phenyl-propanoyl]amino]benzoate Openeye Name: methyl 4-[[2-(1-oxoisoindolin-2-yl)-3-phenyl-propanoyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[2-(1-ketoisoindolin-2-yl)-3-phenyl-propanoyl]amino]benzoic acid methyl ester Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C25H22N2O4/c1-31-25(30)18-11-13-20(14-12-18)26-23(28)22(15-17-7-3-2-4-8-17)27-16-19-9-5-6-10-21(19)24(27)29/h2-14,22H,15-16H2,1H3,(H,26,28)