ethyl 5-(heptan-2-ylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-(heptan-2-ylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-(1-methylhexylcarbamoyl)-1H-pyrrole-3-carboxylate CAS Name: 5-[(heptan-2-ylamino)-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(heptan-2-ylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-(1-methylhexylcarbamoyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H28N2O3 MolecularWeight: 308.41582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=C(C(=C(N1)C)C(=O)OCC)C

Isomeric SMILES

CCCCCC(C)NC(=O)C1=C(C(=C(N1)C)C(=O)OCC)C

InChI

InChI=1S/C17H28N2O3/c1-6-8-9-10-11(3)18-16(20)15-12(4)14(13(5)19-15)17(21)22-7-2/h11,19H,6-10H2,1-5H3,(H,18,20)