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

Systemtic Name: 4-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]-methyl-amino]butanoic acid Openeye Name: 4-[[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]-methyl-amino]butanoic acid CAS Name: 4-[[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]-methylamino]butanoic acid IUPAC Name: 4-[[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]-methylamino]butanoic acid Traditional Name: 4-[[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]-methyl-amino]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)N(C)CCCC(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)N(C)CCCC(=O)O)Br

InChI

InChI=1S/C15H18BrNO3/c1-11-5-6-12(13(16)10-11)7-8-14(18)17(2)9-3-4-15(19)20/h5-8,10H,3-4,9H2,1-2H3,(H,19,20)/b8-7+