[(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [(1R)-2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [(1R)-2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)O[C@H](C)C(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H21ClN2O3/c1-4-18-13(2)20(17-10-5-6-11-19(17)25-18)22(27)28-14(3)21(26)24-16-9-7-8-15(23)12-16/h5-12,14H,4H2,1-3H3,(H,24,26)/t14-/m1/s1