[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxylic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3-methyl-cinchoninic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C31H29ClN2O3 MolecularWeight: 513.02656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)OCC(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)OCC(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H29ClN2O3/c1-21-29(26-12-5-6-13-27(26)33-30(21)24-10-7-11-25(32)19-24)31(36)37-20-28(35)34-16-14-23(15-17-34)18-22-8-3-2-4-9-22/h2-13,19,23H,14-18,20H2,1H3