3-[(2-cyclohexa-1,3-dien-1-yl-5-methoxy-phenoxy)methyl]-2-methyl-benzoic acid

Systemtic Name: 3-[(2-cyclohexa-1,3-dien-1-yl-5-methoxy-phenoxy)methyl]-2-methyl-benzoic acid Openeye Name: 3-[(2-cyclohexa-1,3-dien-1-yl-5-methoxy-phenoxy)methyl]-2-methyl-benzoic acid CAS Name: 3-[[2-(1-cyclohexa-1,3-dienyl)-5-methoxyphenoxy]methyl]-2-methylbenzoic acid IUPAC Name: 3-[(2-cyclohexa-1,3-dien-1-yl-5-methoxyphenoxy)methyl]-2-methylbenzoic acid Traditional Name: 3-[(2-cyclohexa-1,3-dien-1-yl-5-methoxy-phenoxy)methyl]-2-methyl-benzoic acid Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1COC2=C(C=CC(=C2)OC)C3=CC=CCC3)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1COC2=C(C=CC(=C2)OC)C3=CC=CCC3)C(=O)O

InChI

InChI=1S/C22H22O4/c1-15-17(9-6-10-19(15)22(23)24)14-26-21-13-18(25-2)11-12-20(21)16-7-4-3-5-8-16/h3-4,6-7,9-13H,5,8,14H2,1-2H3,(H,23,24)