[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C29H34N2O3 MolecularWeight: 458.59186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C29H34N2O3/c1-3-10-25-23(4-2)28(24-13-8-9-14-26(24)30-25)29(33)34-20-27(32)31-17-15-22(16-18-31)19-21-11-6-5-7-12-21/h5-9,11-14,22H,3-4,10,15-20H2,1-2H3