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

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(2-chlorophenyl)-4-quinolinecarboxylic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(2-chlorophenyl)cinchoninic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C30H27ClN2O3 MolecularWeight: 498.99998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5Cl

InChI

InChI=1S/C30H27ClN2O3/c31-26-12-6-4-11-24(26)28-19-25(23-10-5-7-13-27(23)32-28)30(35)36-20-29(34)33-16-14-22(15-17-33)18-21-8-2-1-3-9-21/h1-13,19,22H,14-18,20H2