2-[[3-(4-cyclohexylbutoxy)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[3-(4-cyclohexylbutoxy)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[3-(4-cyclohexylbutoxy)-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[3-(4-cyclohexylbutoxy)-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[3-(4-cyclohexylbutoxy)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[3-(4-cyclohexylbutoxy)-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C29H39NO4S MolecularWeight: 497.68926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC=C2OCCCCC3CCCCC3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC=C2OCCCCC3CCCCC3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C29H39NO4S/c1-21-11-6-7-15-23(21)27-24(28(31)30-25(29(32)33)18-20-35-2)16-10-17-26(27)34-19-9-8-14-22-12-4-3-5-13-22/h6-7,10-11,15-17,22,25H,3-5,8-9,12-14,18-20H2,1-2H3,(H,30,31)(H,32,33)