[(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] 2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(1-piperidyl)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid [(2R)-1-oxo-1-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid [(1R)-2-keto-1-methyl-2-piperidino-ethyl] ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC

Isomeric SMILES

C[C@H](C(=O)N1CCCCC1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H26N2O4/c1-17(24(28)27-14-6-3-7-15-27)31-25(29)21-16-23(18-10-12-19(30-2)13-11-18)26-22-9-5-4-8-20(21)22/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3/t17-/m1/s1