(3-methyl-2-oxidanylidene-3-azabicyclo[2.2.2]octan-5-yl) 3-methyl-5-(4-phenylphenyl)pentanoate

Systemtic Name: (3-methyl-2-oxidanylidene-3-azabicyclo[2.2.2]octan-5-yl) 3-methyl-5-(4-phenylphenyl)pentanoate Openeye Name: (3-methyl-2-oxo-3-azabicyclo[2.2.2]octan-5-yl) 3-methyl-5-(4-phenylphenyl)pentanoate CAS Name: 3-methyl-5-(4-phenylphenyl)pentanoic acid (3-methyl-2-oxo-3-azabicyclo[2.2.2]octan-5-yl) ester IUPAC Name: (3-methyl-2-oxo-3-azabicyclo[2.2.2]octan-5-yl) 3-methyl-5-(4-phenylphenyl)pentanoate Traditional Name: 3-methyl-5-(4-phenylphenyl)valeric acid (2-keto-3-methyl-3-azabicyclo[2.2.2]octan-5-yl) ester Formula: C26H31NO3 MolecularWeight: 405.52924

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)C2=CC=CC=C2)CC(=O)OC3CC4CCC3N(C4=O)C

Isomeric SMILES

CC(CCC1=CC=C(C=C1)C2=CC=CC=C2)CC(=O)OC3CC4CCC3N(C4=O)C

InChI

InChI=1S/C26H31NO3/c1-18(8-9-19-10-12-21(13-11-19)20-6-4-3-5-7-20)16-25(28)30-24-17-22-14-15-23(24)27(2)26(22)29/h3-7,10-13,18,22-24H,8-9,14-17H2,1-2H3