[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid [2-keto-2-[[(1S,2R)-2-methylcyclohexyl]amino]ethyl] ester Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC

Isomeric SMILES

C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H28N2O4/c1-17-7-3-5-9-22(17)28-25(29)16-32-26(30)21-15-24(18-11-13-19(31-2)14-12-18)27-23-10-6-4-8-20(21)23/h4,6,8,10-15,17,22H,3,5,7,9,16H2,1-2H3,(H,28,29)/t17-,22+/m1/s1