ethyl 1-propyl-3-(pyridin-4-ylcarbonylamino)pyrrole-2-carboxylate

Systemtic Name: ethyl 1-propyl-3-(pyridin-4-ylcarbonylamino)pyrrole-2-carboxylate Openeye Name: ethyl 1-propyl-3-(pyridine-4-carbonylamino)pyrrole-2-carboxylate CAS Name: 3-[[oxo(pyridin-4-yl)methyl]amino]-1-propyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-propyl-3-(pyridine-4-carbonylamino)pyrrole-2-carboxylate Traditional Name: 3-isonicotinamido-1-propyl-pyrrole-2-carboxylic acid ethyl ester Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CC(=C1C(=O)OCC)NC(=O)C2=CC=NC=C2

Isomeric SMILES

CCCN1C=CC(=C1C(=O)OCC)NC(=O)C2=CC=NC=C2

InChI

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