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

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

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

Isomeric SMILES

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

InChI

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