ethyl 1-[2,4-bis(fluoranyl)phenyl]carbonyl-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2,4-bis(fluoranyl)phenyl]carbonyl-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(2,4-difluorobenzoyl)-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[(2,4-difluorophenyl)-oxomethyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,4-difluorobenzoyl)-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-(2,4-difluorobenzoyl)-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C24H27F2NO3 MolecularWeight: 415.472886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=C(C=C(C=C2)F)F)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=C(C=C(C=C2)F)F)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H27F2NO3/c1-2-30-23(29)24(12-6-9-18-7-4-3-5-8-18)13-15-27(16-14-24)22(28)20-11-10-19(25)17-21(20)26/h3-5,7-8,10-11,17H,2,6,9,12-16H2,1H3