4-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]butanoic acid

Systemtic Name: 4-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]butanoic acid Openeye Name: 4-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]butanoic acid CAS Name: 4-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 4-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]butanoic acid Traditional Name: 4-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]butyric acid Formula: C14H16BrNO4 MolecularWeight: 342.18514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NCCCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NCCCC(=O)O

InChI

InChI=1S/C14H16BrNO4/c1-20-12-6-5-11(15)9-10(12)4-7-13(17)16-8-2-3-14(18)19/h4-7,9H,2-3,8H2,1H3,(H,16,17)(H,18,19)/b7-4+