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

Systemtic Name: 2-[(2-cyclohexa-1,3-dien-1-yl-5-methoxy-phenoxy)methyl]benzoic acid Openeye Name: 2-[(2-cyclohexa-1,3-dien-1-yl-5-methoxy-phenoxy)methyl]benzoic acid CAS Name: 2-[[2-(1-cyclohexa-1,3-dienyl)-5-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 2-[(2-cyclohexa-1,3-dien-1-yl-5-methoxyphenoxy)methyl]benzoic acid Traditional Name: 2-[(2-cyclohexa-1,3-dien-1-yl-5-methoxy-phenoxy)methyl]benzoic acid Formula: C21H20O4 MolecularWeight: 336.3811

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC=CCC2)OCC3=CC=CC=C3C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC=CCC2)OCC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H20O4/c1-24-17-11-12-18(15-7-3-2-4-8-15)20(13-17)25-14-16-9-5-6-10-19(16)21(22)23/h2-3,5-7,9-13H,4,8,14H2,1H3,(H,22,23)