ethyl 1-[2-(3,4-dimethylphenyl)-6-fluoranyl-quinolin-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(3,4-dimethylphenyl)-6-fluoranyl-quinolin-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[2-(3,4-dimethylphenyl)-6-fluoro-quinoline-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-(3,4-dimethylphenyl)-6-fluoro-4-quinolinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-(3,4-dimethylphenyl)-6-fluoro-quinoline-4-carbonyl]nipecotic acid ethyl ester Formula: C26H27FN2O3 MolecularWeight: 434.502583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27FN2O3/c1-4-32-26(31)19-6-5-11-29(15-19)25(30)22-14-24(18-8-7-16(2)17(3)12-18)28-23-10-9-20(27)13-21(22)23/h7-10,12-14,19H,4-6,11,15H2,1-3H3