[(2R)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(butylamino)benzoate

Systemtic Name: [(2R)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(butylamino)benzoate Openeye Name: [(1R)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 2-(butylamino)benzoate CAS Name: 2-(butylamino)benzoic acid [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid [(1R)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)C

InChI

InChI=1S/C21H26N2O3/c1-4-5-14-22-19-9-7-6-8-18(19)21(25)26-16(3)20(24)23-17-12-10-15(2)11-13-17/h6-13,16,22H,4-5,14H2,1-3H3,(H,23,24)/t16-/m1/s1