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

Systemtic Name: 2-[[4-[(2-methoxyphenyl)methoxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[(2-methoxyphenyl)methoxymethyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(2-methoxyphenyl)methoxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(2-methoxyphenyl)methoxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[4-(o-anisyloxymethyl)-2-(o-tolyl)benzoyl]amino]butyric acid 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=C3OC)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COCC3=CC=CC=C3OC)C(=O)NC(CCSC)C(=O)O

InChI

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