tert-butyl 4-[(8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl)-phenyl-amino]benzoate

Systemtic Name: tert-butyl 4-[(8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl)-phenyl-amino]benzoate Openeye Name: tert-butyl 4-(N-(8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)benzoate CAS Name: 4-(N-(8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(N-(8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)benzoate Traditional Name: 4-(N-(8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)benzoic acid tert-butyl ester Formula: C32H38N2O2 MolecularWeight: 482.65632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H38N2O2/c1-32(2,3)36-31(35)25-14-16-27(17-15-25)34(26-12-8-5-9-13-26)30-22-28-18-19-29(23-30)33(28)21-20-24-10-6-4-7-11-24/h4-17,28-30H,18-23H2,1-3H3