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

Systemtic Name: 2-[5-[(E)-3-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)prop-2-enoyl]-2-methoxy-phenyl]ethanoic acid Openeye Name: 2-[5-[(E)-3-(4-allyloxy-3-bromo-5-methoxy-phenyl)prop-2-enoyl]-2-methoxy-phenyl]acetic acid CAS Name: 2-[5-[(E)-3-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-1-oxoprop-2-enyl]-2-methoxyphenyl]acetic acid IUPAC Name: 2-[5-[(E)-3-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]-2-methoxyphenyl]acetic acid Traditional Name: 2-[5-[(E)-3-(4-allyloxy-3-bromo-5-methoxy-phenyl)acryloyl]-2-methoxy-phenyl]acetic acid Formula: C22H21BrO6 MolecularWeight: 461.30254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=C(C(=C2)Br)OCC=C)OC)CC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=C(C(=C2)Br)OCC=C)OC)CC(=O)O

InChI

InChI=1S/C22H21BrO6/c1-4-9-29-22-17(23)10-14(11-20(22)28-3)5-7-18(24)15-6-8-19(27-2)16(12-15)13-21(25)26/h4-8,10-12H,1,9,13H2,2-3H3,(H,25,26)/b7-5+