[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-methylquinoline-4-carboxylate

Systemtic Name: [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-methylquinoline-4-carboxylate Openeye Name: [(1S)-2-[(2-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [(1S)-2-[(2-chlorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C)C(=O)NCC3=CC=CC=C3Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)O[C@@H](C)C(=O)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H19ClN2O3/c1-13-11-17(16-8-4-6-10-19(16)24-13)21(26)27-14(2)20(25)23-12-15-7-3-5-9-18(15)22/h3-11,14H,12H2,1-2H3,(H,23,25)/t14-/m0/s1