[phenyl-(phenylmethyl)amino] 2-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]propanoate

Systemtic Name: [phenyl-(phenylmethyl)amino] 2-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]propanoate Openeye Name: (N-benzylanilino) 2-[4-(1-oxoisoindolin-2-yl)phenyl]propanoate CAS Name: 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid (N-(phenylmethyl)anilino) ester IUPAC Name: (N-benzylanilino) 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoate Traditional Name: 2-[4-(1-ketoisoindolin-2-yl)phenyl]propionic acid (N-benzylanilino) ester Formula: C30H26N2O3 MolecularWeight: 462.53904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)ON(CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)ON(CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H26N2O3/c1-22(24-16-18-26(19-17-24)31-21-25-12-8-9-15-28(25)29(31)33)30(34)35-32(27-13-6-3-7-14-27)20-23-10-4-2-5-11-23/h2-19,22H,20-21H2,1H3