ethyl 3,5-dimethyl-4-(pyridin-3-ylmethylcarbamoyl)-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-(pyridin-3-ylmethylcarbamoyl)-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-(3-pyridylmethylcarbamoyl)-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[oxo-(3-pyridinylmethylamino)methyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-(pyridin-3-ylmethylcarbamoyl)-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-(3-pyridylmethylcarbamoyl)-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C16H19N3O3 MolecularWeight: 301.34036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NCC2=CN=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NCC2=CN=CC=C2)C

InChI

InChI=1S/C16H19N3O3/c1-4-22-16(21)14-10(2)13(11(3)19-14)15(20)18-9-12-6-5-7-17-8-12/h5-8,19H,4,9H2,1-3H3,(H,18,20)