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

Systemtic Name: ethyl 1,3,5-trimethyl-4-(pyridin-3-ylmethylcarbamoyl)pyrrole-2-carboxylate Openeye Name: ethyl 1,3,5-trimethyl-4-(3-pyridylmethylcarbamoyl)pyrrole-2-carboxylate CAS Name: 1,3,5-trimethyl-4-[oxo-(3-pyridinylmethylamino)methyl]-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,3,5-trimethyl-4-(pyridin-3-ylmethylcarbamoyl)pyrrole-2-carboxylate Traditional Name: 1,3,5-trimethyl-4-(3-pyridylmethylcarbamoyl)pyrrole-2-carboxylic acid ethyl ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NCC2=CN=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NCC2=CN=CC=C2)C

InChI

InChI=1S/C17H21N3O3/c1-5-23-17(22)15-11(2)14(12(3)20(15)4)16(21)19-10-13-7-6-8-18-9-13/h6-9H,5,10H2,1-4H3,(H,19,21)