(4-oxidanylidene-4-phenyl-butyl) 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: (4-oxidanylidene-4-phenyl-butyl) 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: (4-oxo-4-phenyl-butyl) 3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid (4-oxo-4-phenylbutyl) ester IUPAC Name: (4-oxo-4-phenylbutyl) 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid (4-keto-4-phenyl-butyl) ester Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCCCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCCCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H27NO4/c1-16(2)21(24-22(26)19-12-7-9-17(3)15-19)23(27)28-14-8-13-20(25)18-10-5-4-6-11-18/h4-7,9-12,15-16,21H,8,13-14H2,1-3H3,(H,24,26)