(phenylmethyl) 2-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]-4-phenyl-butanoate

Systemtic Name: (phenylmethyl) 2-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]-4-phenyl-butanoate Openeye Name: benzyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]-4-phenyl-butanoate CAS Name: 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]-4-phenylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]-4-phenylbutanoate Traditional Name: 2-[(2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]-4-phenyl-butyric acid benzyl ester Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1NC(CCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)C1NC(CCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O3/c30-26-24(18-16-22-13-7-8-14-23(22)29-26)28-25(17-15-20-9-3-1-4-10-20)27(31)32-19-21-11-5-2-6-12-21/h1-14,24-25,28H,15-19H2,(H,29,30)