[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: [2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: [2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl] 4-oxo-1H-quinoline-2-carboxylate CAS Name: 4-oxo-1H-quinoline-2-carboxylic acid [2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate Traditional Name: 4-keto-1H-quinoline-2-carboxylic acid [2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-keto-ethyl] ester Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H24N2O4/c1-12-6-5-9-15(13(12)2)22-19(24)11-26-20(25)17-10-18(23)14-7-3-4-8-16(14)21-17/h3-4,7-8,10,12-13,15H,5-6,9,11H2,1-2H3,(H,21,23)(H,22,24)/t12-,13+,15+/m0/s1