4-(3-phenylmethoxyphenyl)-8-(phenylmethyl)-8-azabicyclo[3.2.1]octane-3-carboxylate

Systemtic Name: 4-(3-phenylmethoxyphenyl)-8-(phenylmethyl)-8-azabicyclo[3.2.1]octane-3-carboxylate Openeye Name: 8-benzyl-4-(3-benzyloxyphenyl)-8-azabicyclo[3.2.1]octane-3-carboxylate CAS Name: 4-(3-phenylmethoxyphenyl)-8-(phenylmethyl)-8-azabicyclo[3.2.1]octane-3-carboxylate IUPAC Name: 8-benzyl-4-(3-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]octane-3-carboxylate Traditional Name: 4-(3-benzoxyphenyl)-8-benzyl-8-azabicyclo[3.2.1]octane-3-carboxylate Formula: C28H28NO3- MolecularWeight: 426.52682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(CC1N2CC3=CC=CC=C3)C(=O)[O-])C4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CC2C(C(CC1N2CC3=CC=CC=C3)C(=O)[O-])C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H29NO3/c30-28(31)25-17-23-14-15-26(29(23)18-20-8-3-1-4-9-20)27(25)22-12-7-13-24(16-22)32-19-21-10-5-2-6-11-21/h1-13,16,23,25-27H,14-15,17-19H2,(H,30,31)/p-1