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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)C=CC1=CC(=CC=C1)Br

Isomeric SMILES

CN(CCCC(=O)O)C(=O)/C=C/C1=CC(=CC=C1)Br

InChI

InChI=1S/C14H16BrNO3/c1-16(9-3-6-14(18)19)13(17)8-7-11-4-2-5-12(15)10-11/h2,4-5,7-8,10H,3,6,9H2,1H3,(H,18,19)/b8-7+