4-[2-[4-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]phenyl]ethyl]phthalic acid

Systemtic Name: 4-[2-[4-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]phenyl]ethyl]phthalic acid Openeye Name: 4-[2-[4-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]phenyl]ethyl]phthalic acid CAS Name: 4-[2-[4-[2-(4-hydroxy-3-methoxyphenyl)ethyl]phenyl]ethyl]phthalic acid IUPAC Name: 4-[2-[4-[2-(4-hydroxy-3-methoxyphenyl)ethyl]phenyl]ethyl]phthalic acid Traditional Name: 4-[2-(4-homovanillylphenyl)ethyl]phthalic acid Formula: C25H24O6 MolecularWeight: 420.45446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC2=CC=C(C=C2)CCC3=CC(=C(C=C3)C(=O)O)C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCC2=CC=C(C=C2)CCC3=CC(=C(C=C3)C(=O)O)C(=O)O)O

InChI

InChI=1S/C25H24O6/c1-31-23-15-19(11-13-22(23)26)9-7-17-4-2-16(3-5-17)6-8-18-10-12-20(24(27)28)21(14-18)25(29)30/h2-5,10-15,26H,6-9H2,1H3,(H,27,28)(H,29,30)