2-[2,6-dimethyl-4-[(E)-3-oxidanylidene-3-(4-phenethyloxyphenyl)prop-1-enyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[2,6-dimethyl-4-[(E)-3-oxidanylidene-3-(4-phenethyloxyphenyl)prop-1-enyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[2,6-dimethyl-4-[(E)-3-oxo-3-(4-phenethyloxyphenyl)prop-1-enyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[2,6-dimethyl-4-[(E)-3-oxo-3-(4-phenethyloxyphenyl)prop-1-enyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[2,6-dimethyl-4-[(E)-3-oxo-3-(4-phenethyloxyphenyl)prop-1-enyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[(E)-3-keto-3-(4-phenethyloxyphenyl)prop-1-enyl]-2,6-dimethyl-phenoxy]-2-methyl-propionic acid Formula: C29H30O5 MolecularWeight: 458.5455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)(C)C(=O)O)C)C=CC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1OC(C)(C)C(=O)O)C)/C=C/C(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C29H30O5/c1-20-18-23(19-21(2)27(20)34-29(3,4)28(31)32)10-15-26(30)24-11-13-25(14-12-24)33-17-16-22-8-6-5-7-9-22/h5-15,18-19H,16-17H2,1-4H3,(H,31,32)/b15-10+