[(2S)-1-[cyclohexyl(ethyl)amino]-1-oxidanylidene-propan-2-yl] 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: [(2S)-1-[cyclohexyl(ethyl)amino]-1-oxidanylidene-propan-2-yl] 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [(1S)-2-[cyclohexyl(ethyl)amino]-1-methyl-2-oxo-ethyl] 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid [(2S)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [(1S)-2-[cyclohexyl(ethyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)C(C)OC(=O)C2=CC(=O)NC3=CC=CC=C32

Isomeric SMILES

CCN(C1CCCCC1)C(=O)[C@H](C)OC(=O)C2=CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C21H26N2O4/c1-3-23(15-9-5-4-6-10-15)20(25)14(2)27-21(26)17-13-19(24)22-18-12-8-7-11-16(17)18/h7-8,11-15H,3-6,9-10H2,1-2H3,(H,22,24)/t14-/m0/s1