ethyl (3S)-1-(1-methyl-4-oxidanylidene-quinolin-3-yl)carbonyl-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(1-methyl-4-oxidanylidene-quinolin-3-yl)carbonyl-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(1-methyl-4-oxo-quinoline-3-carbonyl)-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(1-methyl-4-oxo-3-quinolinyl)-oxomethyl]-3-[(2-methylphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(1-methyl-4-oxoquinoline-3-carbonyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-(4-keto-1-methyl-quinoline-3-carbonyl)-3-(2-methylbenzyl)nipecotic acid ethyl ester Formula: C27H30N2O4 MolecularWeight: 446.5381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CN(C3=CC=CC=C3C2=O)C)CC4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CN(C3=CC=CC=C3C2=O)C)CC4=CC=CC=C4C

InChI

InChI=1S/C27H30N2O4/c1-4-33-26(32)27(16-20-11-6-5-10-19(20)2)14-9-15-29(18-27)25(31)22-17-28(3)23-13-8-7-12-21(23)24(22)30/h5-8,10-13,17H,4,9,14-16,18H2,1-3H3/t27-/m0/s1