ethyl 1-[2-[(3,5-dimethylphenyl)amino]quinolin-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[(3,5-dimethylphenyl)amino]quinolin-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[2-(3,5-dimethylanilino)quinoline-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-(3,5-dimethylanilino)-4-quinolinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,5-dimethylanilino)quinoline-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-(3,5-dimethylanilino)quinoline-4-carbonyl]nipecotic acid ethyl ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)NC4=CC(=CC(=C4)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)NC4=CC(=CC(=C4)C)C

InChI

InChI=1S/C26H29N3O3/c1-4-32-26(31)19-8-7-11-29(16-19)25(30)22-15-24(28-23-10-6-5-9-21(22)23)27-20-13-17(2)12-18(3)14-20/h5-6,9-10,12-15,19H,4,7-8,11,16H2,1-3H3,(H,27,28)