ethyl 1-[[5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrol-3-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrol-3-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrol-3-yl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carbonyl]isonipecotic acid ethyl ester Formula: C22H28N2O3 MolecularWeight: 368.46932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(NC(=C2)C3=CC(=C(C=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(NC(=C2)C3=CC(=C(C=C3)C)C)C

InChI

InChI=1S/C22H28N2O3/c1-5-27-22(26)17-8-10-24(11-9-17)21(25)19-13-20(23-16(19)4)18-7-6-14(2)15(3)12-18/h6-7,12-13,17,23H,5,8-11H2,1-4H3