[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-phenylquinoline-4-carboxylate

Systemtic Name: [2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-phenylquinoline-4-carboxylate Openeye Name: [2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl] 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid [2-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid [2-[(2R,6R)-2,6-dimethylpiperidino]-2-keto-ethyl] ester Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C

InChI

InChI=1S/C25H26N2O3/c1-17-9-8-10-18(2)27(17)24(28)16-30-25(29)21-15-23(19-11-4-3-5-12-19)26-22-14-7-6-13-20(21)22/h3-7,11-15,17-18H,8-10,16H2,1-2H3/t17-,18-/m1/s1