(E)-3-[4-(butanoylamino)-1-methyl-pyrrol-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(butanoylamino)-1-methyl-pyrrol-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[4-(butanoylamino)-1-methyl-pyrrol-2-yl]prop-2-enoic acid CAS Name: (E)-3-[1-methyl-4-(1-oxobutylamino)-2-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(butanoylamino)-1-methylpyrrol-2-yl]prop-2-enoic acid Traditional Name: (E)-3-(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=CC(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3/c1-3-4-11(15)13-9-7-10(14(2)8-9)5-6-12(16)17/h5-8H,3-4H2,1-2H3,(H,13,15)(H,16,17)/b6-5+