4-[(4-methoxyphenyl)methylsulfanyl]-5-phenyl-2-(phenylmethyl)pentanoic acid

Systemtic Name: 4-[(4-methoxyphenyl)methylsulfanyl]-5-phenyl-2-(phenylmethyl)pentanoic acid Openeye Name: 2-benzyl-4-[(4-methoxyphenyl)methylsulfanyl]-5-phenyl-pentanoic acid CAS Name: 4-[(4-methoxyphenyl)methylthio]-5-phenyl-2-(phenylmethyl)pentanoic acid IUPAC Name: 2-benzyl-4-[(4-methoxyphenyl)methylsulfanyl]-5-phenylpentanoic acid Traditional Name: 2-benzyl-4-(p-anisylthio)-5-phenyl-valeric acid Formula: C26H28O3S MolecularWeight: 420.56372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC(CC2=CC=CC=C2)CC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CSC(CC2=CC=CC=C2)CC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H28O3S/c1-29-24-14-12-22(13-15-24)19-30-25(17-21-10-6-3-7-11-21)18-23(26(27)28)16-20-8-4-2-5-9-20/h2-15,23,25H,16-19H2,1H3,(H,27,28)