2-[[4-[(4-hydroxyphenyl)methoxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[(4-hydroxyphenyl)methoxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[(4-hydroxyphenyl)methoxymethyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(4-hydroxyphenyl)methoxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(4-hydroxyphenyl)methoxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[(4-hydroxybenzyl)oxymethyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C27H29NO5S MolecularWeight: 479.58786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COCC3=CC=C(C=C3)O)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COCC3=CC=C(C=C3)O)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C27H29NO5S/c1-18-5-3-4-6-22(18)24-15-20(17-33-16-19-7-10-21(29)11-8-19)9-12-23(24)26(30)28-25(27(31)32)13-14-34-2/h3-12,15,25,29H,13-14,16-17H2,1-2H3,(H,28,30)(H,31,32)