[4-(4-cyanophenyl)phenyl] 3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanoate Openeye Name: [4-(4-cyanophenyl)phenyl] 3-(1-methylene-3-oxo-isoindolin-2-yl)propanoate CAS Name: 3-(1-methylene-3-oxo-2-isoindolyl)propanoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate Traditional Name: 3-(1-keto-3-methylene-isoindolin-2-yl)propionic acid [4-(4-cyanophenyl)phenyl] ester Formula: C25H18N2O3 MolecularWeight: 394.42202

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2C(=O)N1CCC(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C=C1C2=CC=CC=C2C(=O)N1CCC(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H18N2O3/c1-17-22-4-2-3-5-23(22)25(29)27(17)15-14-24(28)30-21-12-10-20(11-13-21)19-8-6-18(16-26)7-9-19/h2-13H,1,14-15H2