2-[(3-oxidanyl-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)-phenyl-methyl]benzoic acid

Systemtic Name: 2-[(3-oxidanyl-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)-phenyl-methyl]benzoic acid Openeye Name: 2-[(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)-phenyl-methyl]benzoic acid CAS Name: 2-[(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)-phenylmethyl]benzoic acid IUPAC Name: 2-[(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)-phenylmethyl]benzoic acid Traditional Name: 2-[(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)-phenyl-methyl]benzoic acid Formula: C27H27NO3 MolecularWeight: 413.50818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC1N2C(C3=CC=CC=C3)C4=CC=CC=C4C(=O)O)(C5=CC=CC=C5)O

Isomeric SMILES

C1CC2CC(CC1N2C(C3=CC=CC=C3)C4=CC=CC=C4C(=O)O)(C5=CC=CC=C5)O

InChI

InChI=1S/C27H27NO3/c29-26(30)24-14-8-7-13-23(24)25(19-9-3-1-4-10-19)28-21-15-16-22(28)18-27(31,17-21)20-11-5-2-6-12-20/h1-14,21-22,25,31H,15-18H2,(H,29,30)