ethyl 3-[4-(1-methyl-5-phenyl-pyrrol-2-yl)phenyl]-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: ethyl 3-[4-(1-methyl-5-phenyl-pyrrol-2-yl)phenyl]-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: ethyl 3-[4-(1-methyl-5-phenyl-pyrrol-2-yl)phenyl]-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: 3-[4-(1-methyl-5-phenyl-2-pyrrolyl)phenyl]-8-azabicyclo[3.2.1]octane-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(1-methyl-5-phenylpyrrol-2-yl)phenyl]-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 3-[4-(1-methyl-5-phenyl-pyrrol-2-yl)phenyl]-8-azabicyclo[3.2.1]octane-4-carboxylic acid ethyl ester Formula: C27H30N2O2 MolecularWeight: 414.5393

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2CCC(N2)CC1C3=CC=C(C=C3)C4=CC=C(N4C)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1C2CCC(N2)CC1C3=CC=C(C=C3)C4=CC=C(N4C)C5=CC=CC=C5

InChI

InChI=1S/C27H30N2O2/c1-3-31-27(30)26-22(17-21-13-14-23(26)28-21)18-9-11-20(12-10-18)25-16-15-24(29(25)2)19-7-5-4-6-8-19/h4-12,15-16,21-23,26,28H,3,13-14,17H2,1-2H3