ethyl 1-[2-(4-acetamidophenyl)-6-methyl-quinolin-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(4-acetamidophenyl)-6-methyl-quinolin-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[2-(4-acetamidophenyl)-6-methyl-quinoline-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-(4-acetamidophenyl)-6-methyl-4-quinolinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-acetamidophenyl)-6-methylquinoline-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-(4-acetamidophenyl)-6-methyl-quinoline-4-carbonyl]nipecotic acid ethyl ester Formula: C27H29N3O4 MolecularWeight: 459.53686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C27H29N3O4/c1-4-34-27(33)20-6-5-13-30(16-20)26(32)23-15-25(29-24-12-7-17(2)14-22(23)24)19-8-10-21(11-9-19)28-18(3)31/h7-12,14-15,20H,4-6,13,16H2,1-3H3,(H,28,31)