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

Systemtic Name: [2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[(3R,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid [2-[(3R,5S)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid [2-[(3R,5S)-3,5-dimethylpiperidino]-2-keto-ethyl] ester Formula: C26H28N2O4 MolecularWeight: 432.51152

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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)OC)C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C26H28N2O4/c1-17-12-18(2)15-28(14-17)25(29)16-32-26(30)22-13-24(19-8-10-20(31-3)11-9-19)27-23-7-5-4-6-21(22)23/h4-11,13,17-18H,12,14-16H2,1-3H3/t17-,18+