(phenylmethyl) 4-[2-(1,3-dihydroisoindol-2-yl)ethyl-methyl-amino]-4-oxidanylidene-2-(phenylmethyl)butanoate

Systemtic Name: (phenylmethyl) 4-[2-(1,3-dihydroisoindol-2-yl)ethyl-methyl-amino]-4-oxidanylidene-2-(phenylmethyl)butanoate Openeye Name: benzyl 2-benzyl-4-[2-isoindolin-2-ylethyl(methyl)amino]-4-oxo-butanoate CAS Name: 4-[2-(1,3-dihydroisoindol-2-yl)ethyl-methylamino]-4-oxo-2-(phenylmethyl)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-benzyl-4-[2-(1,3-dihydroisoindol-2-yl)ethyl-methylamino]-4-oxobutanoate Traditional Name: 2-benzyl-4-[2-isoindolin-2-ylethyl(methyl)amino]-4-keto-butyric acid benzyl ester Formula: C29H32N2O3 MolecularWeight: 456.57598

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1CC2=CC=CC=C2C1)C(=O)CC(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CN(CCN1CC2=CC=CC=C2C1)C(=O)CC(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H32N2O3/c1-30(16-17-31-20-25-14-8-9-15-26(25)21-31)28(32)19-27(18-23-10-4-2-5-11-23)29(33)34-22-24-12-6-3-7-13-24/h2-15,27H,16-22H2,1H3