[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylphenyl)-4-quinolinecarboxylic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-phenylphenyl)cinchoninic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C31H30N2O3 MolecularWeight: 478.5815

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C31H30N2O3/c1-21-16-22(2)19-33(18-21)30(34)20-36-31(35)27-17-29(32-28-11-7-6-10-26(27)28)25-14-12-24(13-15-25)23-8-4-3-5-9-23/h3-15,17,21-22H,16,18-20H2,1-2H3