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

Systemtic Name: 2-[5-[(E)-3-(3-bromanyl-4-fluoranyl-phenyl)prop-2-enoyl]-2-methoxy-phenyl]ethanoic acid Openeye Name: 2-[5-[(E)-3-(3-bromo-4-fluoro-phenyl)prop-2-enoyl]-2-methoxy-phenyl]acetic acid CAS Name: 2-[5-[(E)-3-(3-bromo-4-fluorophenyl)-1-oxoprop-2-enyl]-2-methoxyphenyl]acetic acid IUPAC Name: 2-[5-[(E)-3-(3-bromo-4-fluorophenyl)prop-2-enoyl]-2-methoxyphenyl]acetic acid Traditional Name: 2-[5-[(E)-3-(3-bromo-4-fluoro-phenyl)acryloyl]-2-methoxy-phenyl]acetic acid Formula: C18H14BrFO4 MolecularWeight: 393.203763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)F)Br)CC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)F)Br)CC(=O)O

InChI

InChI=1S/C18H14BrFO4/c1-24-17-7-4-12(9-13(17)10-18(22)23)16(21)6-3-11-2-5-15(20)14(19)8-11/h2-9H,10H2,1H3,(H,22,23)/b6-3+