ethyl 1-[5-(4-ethoxycarbonyl-4-phenyl-piperidin-1-yl)-2,4-bis(4-fluorophenyl)-3-oxidanylidene-pentyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-(4-ethoxycarbonyl-4-phenyl-piperidin-1-yl)-2,4-bis(4-fluorophenyl)-3-oxidanylidene-pentyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[5-(4-ethoxycarbonyl-4-phenyl-1-piperidyl)-2,4-bis(4-fluorophenyl)-3-oxo-pentyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[5-(4-ethoxycarbonyl-4-phenyl-1-piperidinyl)-2,4-bis(4-fluorophenyl)-3-oxopentyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(4-ethoxycarbonyl-4-phenylpiperidin-1-yl)-2,4-bis(4-fluorophenyl)-3-oxopentyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[5-(4-carbethoxy-4-phenyl-piperidino)-2,4-bis(4-fluorophenyl)-3-keto-pentyl]-4-phenyl-isonipecotic acid ethyl ester Formula: C45H50F2N2O5 MolecularWeight: 736.885706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC(C2=CC=C(C=C2)F)C(=O)C(CN3CCC(CC3)(C4=CC=CC=C4)C(=O)OCC)C5=CC=C(C=C5)F)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC(C2=CC=C(C=C2)F)C(=O)C(CN3CCC(CC3)(C4=CC=CC=C4)C(=O)OCC)C5=CC=C(C=C5)F)C6=CC=CC=C6

InChI

InChI=1S/C45H50F2N2O5/c1-3-53-42(51)44(35-11-7-5-8-12-35)23-27-48(28-24-44)31-39(33-15-19-37(46)20-16-33)41(50)40(34-17-21-38(47)22-18-34)32-49-29-25-45(26-30-49,43(52)54-4-2)36-13-9-6-10-14-36/h5-22,39-40H,3-4,23-32H2,1-2H3