3-methyl-2-[2-(1H-pyrrol-2-yl)prop-2-enoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-(1H-pyrrol-2-yl)prop-2-enoylamino]butanoic acid Openeye Name: 3-methyl-2-[2-(1H-pyrrol-2-yl)prop-2-enoylamino]butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-(1H-pyrrol-2-yl)prop-2-enyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[2-(1H-pyrrol-2-yl)prop-2-enoylamino]butanoic acid Traditional Name: 3-methyl-2-[[2-(1H-pyrrol-2-yl)acryloyl]amino]butyric acid Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(=C)C1=CC=CN1

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(=C)C1=CC=CN1

InChI

InChI=1S/C12H16N2O3/c1-7(2)10(12(16)17)14-11(15)8(3)9-5-4-6-13-9/h4-7,10,13H,3H2,1-2H3,(H,14,15)(H,16,17)