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

Systemtic Name: 2-ethyl-4-[(8-phenethyl-8-azabicyclo[3.2.1]octan-3-ylidene)-phenyl-methyl]benzoic acid Openeye Name: 2-ethyl-4-[(8-phenethyl-8-azabicyclo[3.2.1]octan-3-ylidene)-phenyl-methyl]benzoic acid CAS Name: 2-ethyl-4-[(8-phenethyl-8-azabicyclo[3.2.1]octan-3-ylidene)-phenylmethyl]benzoic acid IUPAC Name: 2-ethyl-4-[(8-phenethyl-8-azabicyclo[3.2.1]octan-3-ylidene)-phenylmethyl]benzoic acid Traditional Name: 2-ethyl-4-[(8-phenethyl-8-azabicyclo[3.2.1]octan-3-ylidene)-phenyl-methyl]benzoic acid Formula: C31H33NO2 MolecularWeight: 451.59922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(=C2CC3CCC(C2)N3CCC4=CC=CC=C4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)C(=C2CC3CCC(C2)N3CCC4=CC=CC=C4)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C31H33NO2/c1-2-23-19-25(13-16-29(23)31(33)34)30(24-11-7-4-8-12-24)26-20-27-14-15-28(21-26)32(27)18-17-22-9-5-3-6-10-22/h3-13,16,19,27-28H,2,14-15,17-18,20-21H2,1H3,(H,33,34)