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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrNO4/c1-9(7-14(18)19)16-13(17)6-3-10-8-11(15)4-5-12(10)20-2/h3-6,8-9H,7H2,1-2H3,(H,16,17)(H,18,19)/b6-3+