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

Systemtic Name: [2-[[1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-methyl-amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[[1-(2-chlorophenyl)-2-oxo-cyclohexyl]-methyl-amino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[[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=NC2=CC=CC=C2C=C1)C3(CCCCC3=O)C4=CC=CC=C4Cl

Isomeric SMILES

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

InChI

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