[1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-[(2-methylphenyl)carbonylamino]propanoate

Systemtic Name: [1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-[(2-methylphenyl)carbonylamino]propanoate Openeye Name: [2-[(4-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 3-[(2-methylbenzoyl)amino]propanoate CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]propanoic acid [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-[(2-methylbenzoyl)amino]propanoate Traditional Name: 3-(o-toluoylamino)propionic acid [2-[(4-chlorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)OC(C)C(=O)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)OC(C)C(=O)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H23ClN2O4/c1-14-5-3-4-6-18(14)21(27)23-12-11-19(25)28-15(2)20(26)24-13-16-7-9-17(22)10-8-16/h3-10,15H,11-13H2,1-2H3,(H,23,27)(H,24,26)