[2-(3-oxidanylidene-1H-isoindol-2-yl)-3-phenyl-propyl] 3-methoxybenzoate

Systemtic Name: [2-(3-oxidanylidene-1H-isoindol-2-yl)-3-phenyl-propyl] 3-methoxybenzoate Openeye Name: [2-(1-oxoisoindolin-2-yl)-3-phenyl-propyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropyl] ester IUPAC Name: [2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [2-(1-ketoisoindolin-2-yl)-3-phenyl-propyl] ester Formula: C25H23NO4 MolecularWeight: 401.45442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)OCC(CC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)OCC(CC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C25H23NO4/c1-29-22-12-7-11-19(15-22)25(28)30-17-21(14-18-8-3-2-4-9-18)26-16-20-10-5-6-13-23(20)24(26)27/h2-13,15,21H,14,16-17H2,1H3