[2-[[(1S)-1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-methyl-amino]-2-oxidanylidene-ethyl] quinoline-5-carboxylate

Systemtic Name: [2-[[(1S)-1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-methyl-amino]-2-oxidanylidene-ethyl] quinoline-5-carboxylate Openeye Name: [2-[[(1S)-1-(2-chlorophenyl)-2-oxo-cyclohexyl]-methyl-amino]-2-oxo-ethyl] quinoline-5-carboxylate CAS Name: 5-quinolinecarboxylic acid [2-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl] quinoline-5-carboxylate Traditional Name: quinoline-5-carboxylic acid [2-[[(1S)-1-(2-chlorophenyl)-2-keto-cyclohexyl]-methyl-amino]-2-keto-ethyl] ester Formula: C25H23ClN2O4 MolecularWeight: 450.91412

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=C2C=CC=NC2=CC=C1)C3(CCCCC3=O)C4=CC=CC=C4Cl

Isomeric SMILES

CN(C(=O)COC(=O)C1=C2C=CC=NC2=CC=C1)[C@@]3(CCCCC3=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H23ClN2O4/c1-28(25(14-5-4-13-22(25)29)19-10-2-3-11-20(19)26)23(30)16-32-24(31)18-8-6-12-21-17(18)9-7-15-27-21/h2-3,6-12,15H,4-5,13-14,16H2,1H3/t25-/m0/s1