pentan-3-yl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: pentan-3-yl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: 1-ethylpropyl 8-methyl-3-(p-tolyl)-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid pentan-3-yl ester IUPAC Name: pentan-3-yl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 8-methyl-3-(p-tolyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid 1-ethylpropyl ester Formula: C21H31NO2 MolecularWeight: 329.47634

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC(=O)C1C2CCC(N2C)CC1C3=CC=C(C=C3)C

Isomeric SMILES

CCC(CC)OC(=O)C1C2CCC(N2C)CC1C3=CC=C(C=C3)C

InChI

InChI=1S/C21H31NO2/c1-5-17(6-2)24-21(23)20-18(15-9-7-14(3)8-10-15)13-16-11-12-19(20)22(16)4/h7-10,16-20H,5-6,11-13H2,1-4H3