[(2R)-1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylquinoline-4-carboxylate

Systemtic Name: [(2R)-1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylquinoline-4-carboxylate Openeye Name: [(1R)-2-(3-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [(1R)-2-(3-chloro-2-methyl-anilino)-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)NC3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)O[C@H](C)C(=O)NC3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C21H19ClN2O3/c1-12-11-16(15-7-4-5-9-19(15)23-12)21(26)27-14(3)20(25)24-18-10-6-8-17(22)13(18)2/h4-11,14H,1-3H3,(H,24,25)/t14-/m1/s1