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

Systemtic Name: tert-butyl 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-phenyl-amino]benzoate Openeye Name: tert-butyl 3-(N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)benzoate CAS Name: 3-(N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)benzoate Traditional Name: 3-(N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)benzoic acid tert-butyl ester Formula: C25H32N2O2 MolecularWeight: 392.53378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=CC=C1)N(C2CC3CCC(C2)N3C)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=CC=C1)N(C2CC3CCC(C2)N3C)C4=CC=CC=C4

InChI

InChI=1S/C25H32N2O2/c1-25(2,3)29-24(28)18-9-8-12-22(15-18)27(19-10-6-5-7-11-19)23-16-20-13-14-21(17-23)26(20)4/h5-12,15,20-21,23H,13-14,16-17H2,1-4H3