4-(2-methylphenyl)-2-[2-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-5-phenylmethoxy-phenoxy]butanoic acid

Systemtic Name: 4-(2-methylphenyl)-2-[2-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-5-phenylmethoxy-phenoxy]butanoic acid Openeye Name: 2-[5-benzyloxy-2-[(E)-3-hydroxy-3-oxo-prop-1-enyl]phenoxy]-4-(o-tolyl)butanoic acid CAS Name: 2-[2-[(E)-3-hydroxy-3-oxoprop-1-enyl]-5-phenylmethoxyphenoxy]-4-(2-methylphenyl)butanoic acid IUPAC Name: 2-[2-[(E)-3-hydroxy-3-oxoprop-1-enyl]-5-phenylmethoxyphenoxy]-4-(2-methylphenyl)butanoic acid Traditional Name: 2-[5-benzoxy-2-[(E)-3-hydroxy-3-keto-prop-1-enyl]phenoxy]-4-(o-tolyl)butyric acid Formula: C27H26O6 MolecularWeight: 446.49174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(C(=O)O)OC2=C(C=CC(=C2)OCC3=CC=CC=C3)C=CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1CCC(C(=O)O)OC2=C(C=CC(=C2)OCC3=CC=CC=C3)/C=C/C(=O)O

InChI

InChI=1S/C27H26O6/c1-19-7-5-6-10-21(19)12-15-24(27(30)31)33-25-17-23(14-11-22(25)13-16-26(28)29)32-18-20-8-3-2-4-9-20/h2-11,13-14,16-17,24H,12,15,18H2,1H3,(H,28,29)(H,30,31)/b16-13+