ethyl 1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]isonipecotic acid ethyl ester Formula: C21H26N2O3 MolecularWeight: 354.44274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=CC=C3C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=CC=C3C)C

InChI

InChI=1S/C21H26N2O3/c1-4-26-21(25)18-11-13-22(14-12-18)20(24)17-7-9-19(10-8-17)23-15(2)5-6-16(23)3/h5-10,18H,4,11-14H2,1-3H3