ethyl 1-(8-fluoranylquinolin-2-yl)carbonyl-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(8-fluoranylquinolin-2-yl)carbonyl-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(8-fluoroquinoline-2-carbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[(8-fluoro-2-quinolinyl)-oxomethyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(8-fluoroquinoline-2-carbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-(8-fluoroquinoline-2-carbonyl)-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C27H29FN2O3 MolecularWeight: 448.529163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=NC3=C(C=CC=C3F)C=C2)CCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=NC3=C(C=CC=C3F)C=C2)CCCC4=CC=CC=C4

InChI

InChI=1S/C27H29FN2O3/c1-2-33-26(32)27(15-7-10-20-8-4-3-5-9-20)16-18-30(19-17-27)25(31)23-14-13-21-11-6-12-22(28)24(21)29-23/h3-6,8-9,11-14H,2,7,10,15-19H2,1H3