ethyl 1-[1-(3-fluorophenyl)carbonyl-5-phenyl-piperidin-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-(3-fluorophenyl)carbonyl-5-phenyl-piperidin-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(3-fluorobenzoyl)-5-phenyl-piperidine-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-[(3-fluorophenyl)-oxomethyl]-5-phenyl-3-piperidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(3-fluorobenzoyl)-5-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(3-fluorobenzoyl)-5-phenyl-nipecotoyl]nipecotic acid ethyl ester Formula: C27H31FN2O4 MolecularWeight: 466.544443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2CC(CN(C2)C(=O)C3=CC(=CC=C3)F)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2CC(CN(C2)C(=O)C3=CC(=CC=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C27H31FN2O4/c1-2-34-27(33)21-11-7-13-29(16-21)26(32)23-14-22(19-8-4-3-5-9-19)17-30(18-23)25(31)20-10-6-12-24(28)15-20/h3-6,8-10,12,15,21-23H,2,7,11,13-14,16-18H2,1H3