[(2R,6R,7R)-6,7-diphenyl-4-piperidin-1-yl-2-bicyclo[2.2.2]octanyl] 3-oxidanylidene-2,4-diphenyl-butanoate

Systemtic Name: [(2R,6R,7R)-6,7-diphenyl-4-piperidin-1-yl-2-bicyclo[2.2.2]octanyl] 3-oxidanylidene-2,4-diphenyl-butanoate Openeye Name: [(2R,6R,7R)-6,7-diphenyl-4-(1-piperidyl)-2-bicyclo[2.2.2]octanyl] 3-oxo-2,4-diphenyl-butanoate CAS Name: 3-oxo-2,4-diphenylbutanoic acid [(2R,6R,7R)-6,7-diphenyl-4-(1-piperidinyl)-2-bicyclo[2.2.2]octanyl] ester IUPAC Name: [(2R,6R,7R)-6,7-diphenyl-4-piperidin-1-yl-2-bicyclo[2.2.2]octanyl] 3-oxo-2,4-diphenylbutanoate Traditional Name: 3-keto-2,4-diphenyl-butyric acid [(2R,6R,7R)-6,7-diphenyl-4-piperidino-2-bicyclo[2.2.2]octanyl] ester Formula: C41H43NO3 MolecularWeight: 597.78502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C23CC(C(C(C2)C4=CC=CC=C4)C(C3)OC(=O)C(C5=CC=CC=C5)C(=O)CC6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1CCN(CC1)C23C[C@H](C([C@@H](C2)C4=CC=CC=C4)[C@@H](C3)OC(=O)C(C5=CC=CC=C5)C(=O)CC6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C41H43NO3/c43-36(26-30-16-6-1-7-17-30)38(33-22-12-4-13-23-33)40(44)45-37-29-41(42-24-14-5-15-25-42)27-34(31-18-8-2-9-19-31)39(37)35(28-41)32-20-10-3-11-21-32/h1-4,6-13,16-23,34-35,37-39H,5,14-15,24-29H2/t34-,35-,37+,38?,39?,41?/m0/s1