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

Systemtic Name: ethyl 3-[4-(1-methylpyrrol-2-yl)phenyl]-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: ethyl 3-[4-(1-methylpyrrol-2-yl)phenyl]-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: 3-[4-(1-methyl-2-pyrrolyl)phenyl]-8-azabicyclo[3.2.1]octane-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(1-methylpyrrol-2-yl)phenyl]-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 3-[4-(1-methylpyrrol-2-yl)phenyl]-8-azabicyclo[3.2.1]octane-4-carboxylic acid ethyl ester Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2CCC(N2)CC1C3=CC=C(C=C3)C4=CC=CN4C

Isomeric SMILES

CCOC(=O)C1C2CCC(N2)CC1C3=CC=C(C=C3)C4=CC=CN4C

InChI

InChI=1S/C21H26N2O2/c1-3-25-21(24)20-17(13-16-10-11-18(20)22-16)14-6-8-15(9-7-14)19-5-4-12-23(19)2/h4-9,12,16-18,20,22H,3,10-11,13H2,1-2H3