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

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)carbonylbenzoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H21NO4 MolecularWeight: 351.39574

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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)NC3CC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O[C@H](C)C(=O)NC3CC3

InChI

InChI=1S/C21H21NO4/c1-13-7-9-15(10-8-13)19(23)17-5-3-4-6-18(17)21(25)26-14(2)20(24)22-16-11-12-16/h3-10,14,16H,11-12H2,1-2H3,(H,22,24)/t14-/m1/s1