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

Systemtic Name: 2-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]amino]-3-methyl-butyric acid Formula: C15H18BrNO3 MolecularWeight: 340.21232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)NC(C(C)C)C(=O)O)Br

InChI

InChI=1S/C15H18BrNO3/c1-9(2)14(15(19)20)17-13(18)7-6-11-5-4-10(3)8-12(11)16/h4-9,14H,1-3H3,(H,17,18)(H,19,20)/b7-6+