(phenylmethyl) 3-[(pyridin-4-ylamino)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: (phenylmethyl) 3-[(pyridin-4-ylamino)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: benzyl 3-[(4-pyridylamino)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: 3-[(pyridin-4-ylamino)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(pyridin-4-ylamino)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: 3-[(4-pyridylamino)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid benzyl ester Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC1N2C(=O)OCC3=CC=CC=C3)CNC4=CC=NC=C4

Isomeric SMILES

C1CC2CC(CC1N2C(=O)OCC3=CC=CC=C3)CNC4=CC=NC=C4

InChI

InChI=1S/C21H25N3O2/c25-21(26-15-16-4-2-1-3-5-16)24-19-6-7-20(24)13-17(12-19)14-23-18-8-10-22-11-9-18/h1-5,8-11,17,19-20H,6-7,12-15H2,(H,22,23)