methyl 2-[[4-[(4-hydroxyphenyl)methoxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-[(4-hydroxyphenyl)methoxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-[(4-hydroxyphenyl)methoxymethyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[(4-hydroxyphenyl)methoxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-hydroxyphenyl)methoxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[(4-hydroxybenzyl)oxymethyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C28H31NO5S MolecularWeight: 493.61444

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO5S/c1-19-6-4-5-7-23(19)25-16-21(18-34-17-20-8-11-22(30)12-9-20)10-13-24(25)27(31)29-26(14-15-35-3)28(32)33-2/h4-13,16,26,30H,14-15,17-18H2,1-3H3,(H,29,31)