[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-keto-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)OCC(=O)NC(C)C3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O3/c1-13-10-18(17-8-3-4-9-19(17)23-13)21(26)27-12-20(25)24-14(2)15-6-5-7-16(22)11-15/h3-11,14H,12H2,1-2H3,(H,24,25)/t14-/m1/s1