3-methyl-2-(2-phenylprop-2-enoylamino)butanoic acid

Systemtic Name: 3-methyl-2-(2-phenylprop-2-enoylamino)butanoic acid Openeye Name: 3-methyl-2-(2-phenylprop-2-enoylamino)butanoic acid CAS Name: 3-methyl-2-[(1-oxo-2-phenylprop-2-enyl)amino]butanoic acid IUPAC Name: 3-methyl-2-(2-phenylprop-2-enoylamino)butanoic acid Traditional Name: 2-(atropoylamino)-3-methyl-butyric acid Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3/c1-9(2)12(14(17)18)15-13(16)10(3)11-7-5-4-6-8-11/h4-9,12H,3H2,1-2H3,(H,15,16)(H,17,18)