methyl 2-[[4-[(3-hydroxyphenyl)methoxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-[(3-hydroxyphenyl)methoxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-[(3-hydroxyphenyl)methoxymethyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[(3-hydroxyphenyl)methoxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(3-hydroxyphenyl)methoxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[(3-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(=CC=C3)O)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

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

InChI

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