4-[(8-phenethyl-8-azabicyclo[3.2.1]octan-3-ylidene)-phenyl-methyl]benzoic acid

Systemtic Name: 4-[(8-phenethyl-8-azabicyclo[3.2.1]octan-3-ylidene)-phenyl-methyl]benzoic acid Openeye Name: 4-[(8-phenethyl-8-azabicyclo[3.2.1]octan-3-ylidene)-phenyl-methyl]benzoic acid CAS Name: 4-[(8-phenethyl-8-azabicyclo[3.2.1]octan-3-ylidene)-phenylmethyl]benzoic acid IUPAC Name: 4-[(8-phenethyl-8-azabicyclo[3.2.1]octan-3-ylidene)-phenylmethyl]benzoic acid Traditional Name: 4-[(8-phenethyl-8-azabicyclo[3.2.1]octan-3-ylidene)-phenyl-methyl]benzoic acid Formula: C29H29NO2 MolecularWeight: 423.54606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(=C(C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O)CC1N2CCC5=CC=CC=C5

Isomeric SMILES

C1CC2CC(=C(C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O)CC1N2CCC5=CC=CC=C5

InChI

InChI=1S/C29H29NO2/c31-29(32)24-13-11-23(12-14-24)28(22-9-5-2-6-10-22)25-19-26-15-16-27(20-25)30(26)18-17-21-7-3-1-4-8-21/h1-14,26-27H,15-20H2,(H,31,32)