[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl] 2-methylquinoline-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl] 2-methylquinoline-4-carboxylate Openeye Name: [(1R)-2-(4-benzyl-1-piperidyl)-1-methyl-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [(2R)-1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]propan-2-yl] ester IUPAC Name: [(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [(1R)-2-(4-benzylpiperidino)-2-keto-1-methyl-ethyl] ester Formula: C26H28N2O3 MolecularWeight: 416.51212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C)C(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)O[C@H](C)C(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3/c1-18-16-23(22-10-6-7-11-24(22)27-18)26(30)31-19(2)25(29)28-14-12-21(13-15-28)17-20-8-4-3-5-9-20/h3-11,16,19,21H,12-15,17H2,1-2H3/t19-/m1/s1