[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2,5-dimethyl-1-pyridin-3-yl-pyrrole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2,5-dimethyl-1-pyridin-3-yl-pyrrole-3-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2,5-dimethyl-1-(3-pyridyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(3-pyridinyl)-3-pyrrolecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(3-pyridyl)pyrrole-3-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CN=CC=C2)C)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=CC(=C(N1C2=CN=CC=C2)C)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C17H17N3O3/c1-4-7-19-16(21)11-23-17(22)15-9-12(2)20(13(15)3)14-6-5-8-18-10-14/h1,5-6,8-10H,7,11H2,2-3H3,(H,19,21)