[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2,6-dimethylquinoline-3-carboxylate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2,6-dimethylquinoline-3-carboxylate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 2,6-dimethylquinoline-3-carboxylate CAS Name: 2,6-dimethyl-3-quinolinecarboxylic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-3-carboxylate Traditional Name: 2,6-dimethylquinoline-3-carboxylic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=C(N=C3C=CC(=CC3=C2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=C(N=C3C=CC(=CC3=C2)C)C

InChI

InChI=1S/C22H22N2O3/c1-13-5-8-18(9-6-13)24-21(25)16(4)27-22(26)19-12-17-11-14(2)7-10-20(17)23-15(19)3/h5-12,16H,1-4H3,(H,24,25)/t16-/m0/s1