2-[4-(butanoylamino)-1-methyl-pyrrol-2-yl]prop-2-enoic acid

Systemtic Name: 2-[4-(butanoylamino)-1-methyl-pyrrol-2-yl]prop-2-enoic acid Openeye Name: 2-[4-(butanoylamino)-1-methyl-pyrrol-2-yl]prop-2-enoic acid CAS Name: 2-[1-methyl-4-(1-oxobutylamino)-2-pyrrolyl]-2-propenoic acid IUPAC Name: 2-[4-(butanoylamino)-1-methylpyrrol-2-yl]prop-2-enoic acid Traditional Name: 2-(4-butyramido-1-methyl-pyrrol-2-yl)acrylic acid Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CN(C(=C1)C(=C)C(=O)O)C

Isomeric SMILES

CCCC(=O)NC1=CN(C(=C1)C(=C)C(=O)O)C

InChI

InChI=1S/C12H16N2O3/c1-4-5-11(15)13-9-6-10(14(3)7-9)8(2)12(16)17/h6-7H,2,4-5H2,1,3H3,(H,13,15)(H,16,17)