butanamide; 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid

Systemtic Name: butanamide; 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: butanamide; 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: butanamide; 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: butanamide; 1-ethyl-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: butyramide; 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C13H22N2O3 MolecularWeight: 254.32538

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N.CCN1C(=CC(=C1C)C(=O)O)C

Isomeric SMILES

CCCC(=O)N.CCN1C(=CC(=C1C)C(=O)O)C

InChI

InChI=1S/C9H13NO2.C4H9NO/c1-4-10-6(2)5-8(7(10)3)9(11)12;1-2-3-4(5)6/h5H,4H2,1-3H3,(H,11,12);2-3H2,1H3,(H2,5,6)