methyl 8-methyl-3-(4-pyrimidin-5-ylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl 8-methyl-3-(4-pyrimidin-5-ylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl 8-methyl-3-(4-pyrimidin-5-ylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: 8-methyl-3-[4-(5-pyrimidinyl)phenyl]-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl 8-methyl-3-(4-pyrimidin-5-ylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 8-methyl-3-[4-(5-pyrimidyl)phenyl]-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2/c1-23-16-7-8-18(23)19(20(24)25-2)17(9-16)14-5-3-13(4-6-14)15-10-21-12-22-11-15/h3-6,10-12,16-19H,7-9H2,1-2H3