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

Systemtic Name: [2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-keto-ethyl] ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C

Isomeric SMILES

C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C21H26N2O3/c1-13-7-6-10-18(15(13)3)23-20(24)12-26-21(25)17-11-14(2)22-19-9-5-4-8-16(17)19/h4-5,8-9,11,13,15,18H,6-7,10,12H2,1-3H3,(H,23,24)/t13-,15+,18+/m1/s1