ethyl 3-[4-(1-ethylpyrrol-2-yl)phenyl]-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: ethyl 3-[4-(1-ethylpyrrol-2-yl)phenyl]-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: ethyl 3-[4-(1-ethylpyrrol-2-yl)phenyl]-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: 3-[4-(1-ethyl-2-pyrrolyl)phenyl]-8-azabicyclo[3.2.1]octane-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(1-ethylpyrrol-2-yl)phenyl]-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 3-[4-(1-ethylpyrrol-2-yl)phenyl]-8-azabicyclo[3.2.1]octane-4-carboxylic acid ethyl ester Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC=C1C2=CC=C(C=C2)C3CC4CCC(C3C(=O)OCC)N4

Isomeric SMILES

CCN1C=CC=C1C2=CC=C(C=C2)C3CC4CCC(C3C(=O)OCC)N4

InChI

InChI=1S/C22H28N2O2/c1-3-24-13-5-6-20(24)16-9-7-15(8-10-16)18-14-17-11-12-19(23-17)21(18)22(25)26-4-2/h5-10,13,17-19,21,23H,3-4,11-12,14H2,1-2H3