methyl 3-(4-isoquinolin-4-ylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl 3-(4-isoquinolin-4-ylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl 3-[4-(4-isoquinolyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: 3-[4-(4-isoquinolinyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-isoquinolin-4-ylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 3-[4-(4-isoquinolyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C25H26N2O2 MolecularWeight: 386.48614

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2)C3=CC=C(C=C3)C4=CN=CC5=CC=CC=C54)C(=O)OC

Isomeric SMILES

CN1C2CCC1C(C(C2)C3=CC=C(C=C3)C4=CN=CC5=CC=CC=C54)C(=O)OC

InChI

InChI=1S/C25H26N2O2/c1-27-19-11-12-23(27)24(25(28)29-2)21(13-19)16-7-9-17(10-8-16)22-15-26-14-18-5-3-4-6-20(18)22/h3-10,14-15,19,21,23-24H,11-13H2,1-2H3