ethyl 1-[1-(2-fluorophenyl)carbonyl-6-phenyl-piperidin-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-(2-fluorophenyl)carbonyl-6-phenyl-piperidin-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(2-fluorobenzoyl)-6-phenyl-piperidine-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-[(2-fluorophenyl)-oxomethyl]-6-phenyl-3-piperidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(2-fluorobenzoyl)-6-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(2-fluorobenzoyl)-6-phenyl-nipecotoyl]nipecotic acid ethyl ester Formula: C27H31FN2O4 MolecularWeight: 466.544443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2CCC(N(C2)C(=O)C3=CC=CC=C3F)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2CCC(N(C2)C(=O)C3=CC=CC=C3F)C4=CC=CC=C4

InChI

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