2-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]butanoic acid

Systemtic Name: 2-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]butanoic acid Openeye Name: 2-[[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]amino]butanoic acid CAS Name: 2-[[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 2-[[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]amino]butanoic acid Traditional Name: 2-[[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]amino]butyric acid Formula: C14H16BrNO3 MolecularWeight: 326.18574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)C=CC1=C(C=C(C=C1)C)Br

Isomeric SMILES

CCC(C(=O)O)NC(=O)/C=C/C1=C(C=C(C=C1)C)Br

InChI

InChI=1S/C14H16BrNO3/c1-3-12(14(18)19)16-13(17)7-6-10-5-4-9(2)8-11(10)15/h4-8,12H,3H2,1-2H3,(H,16,17)(H,18,19)/b7-6+