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

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C31H30N2O3 MolecularWeight: 478.5815

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H30N2O3/c1-22-29(26-14-8-9-15-27(26)32-30(22)25-12-6-3-7-13-25)31(35)36-21-28(34)33-18-16-24(17-19-33)20-23-10-4-2-5-11-23/h2-15,24H,16-21H2,1H3