ethyl 1-[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-(3,4-dimethylphenyl)-4-quinolinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]isonipecotic acid ethyl ester Formula: C26H28N2O3 MolecularWeight: 416.51212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C26H28N2O3/c1-4-31-26(30)19-11-13-28(14-12-19)25(29)22-16-24(20-10-9-17(2)18(3)15-20)27-23-8-6-5-7-21(22)23/h5-10,15-16,19H,4,11-14H2,1-3H3