[(2R)-1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: [(2R)-1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)carbonylbenzoate Openeye Name: [(1R)-2-[(4-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid [(2R)-1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid [(1R)-2-[(4-chlorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C25H22ClNO4 MolecularWeight: 435.89948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC(C)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O[C@H](C)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H22ClNO4/c1-16-7-11-19(12-8-16)23(28)21-5-3-4-6-22(21)25(30)31-17(2)24(29)27-15-18-9-13-20(26)14-10-18/h3-14,17H,15H2,1-2H3,(H,27,29)/t17-/m1/s1