[(2R)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [(2R)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [(1R)-1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [(2R)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [(1R)-2-keto-1-methyl-2-(4-methylpiperidino)ethyl] ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C)C(=O)N3CCC(CC3)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)O[C@H](C)C(=O)N3CCC(CC3)C

InChI

InChI=1S/C22H28N2O3/c1-5-18-15(3)20(17-8-6-7-9-19(17)23-18)22(26)27-16(4)21(25)24-12-10-14(2)11-13-24/h6-9,14,16H,5,10-13H2,1-4H3/t16-/m1/s1