2-[[4-[2-(4-chlorophenyl)ethoxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[2-(4-chlorophenyl)ethoxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[2-(4-chlorophenyl)ethoxymethyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[2-(4-chlorophenyl)ethoxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[2-(4-chlorophenyl)ethoxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[2-(4-chlorophenyl)ethoxymethyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C28H30ClNO4S MolecularWeight: 512.0601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COCCC3=CC=C(C=C3)Cl)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COCCC3=CC=C(C=C3)Cl)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C28H30ClNO4S/c1-19-5-3-4-6-23(19)25-17-21(18-34-15-13-20-7-10-22(29)11-8-20)9-12-24(25)27(31)30-26(28(32)33)14-16-35-2/h3-12,17,26H,13-16,18H2,1-2H3,(H,30,31)(H,32,33)