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

Systemtic Name: ethyl 4,5-dimethyl-3-(2-methylpropyl)-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3-isobutyl-4,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4,5-dimethyl-3-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-3-(2-methylpropyl)-1H-pyrrole-2-carboxylate Traditional Name: 3-isobutyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C13H21NO2 MolecularWeight: 223.31134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C)CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C)CC(C)C

InChI

InChI=1S/C13H21NO2/c1-6-16-13(15)12-11(7-8(2)3)9(4)10(5)14-12/h8,14H,6-7H2,1-5H3