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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)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)20-11-13-30(14-12-20)26(32)23-16-25(29-24-10-5-17(2)15-22(23)24)19-6-8-21(9-7-19)28-18(3)31/h5-10,15-16,20H,4,11-14H2,1-3H3,(H,28,31)