2-[[4-(4-cyclohexylbutoxymethyl)-2-(2-methylphenyl)phenyl]carbonyl-methyl-amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-(4-cyclohexylbutoxymethyl)-2-(2-methylphenyl)phenyl]carbonyl-methyl-amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-(4-cyclohexylbutoxymethyl)-2-(o-tolyl)benzoyl]-methyl-amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-(4-cyclohexylbutoxymethyl)-2-(2-methylphenyl)phenyl]-oxomethyl]-methylamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(4-cyclohexylbutoxymethyl)-2-(2-methylphenyl)benzoyl]-methylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-(4-cyclohexylbutoxymethyl)-2-(o-tolyl)benzoyl]-methyl-amino]-4-(methylthio)butyric acid Formula: C31H43NO4S MolecularWeight: 525.74242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COCCCCC3CCCCC3)C(=O)N(C)C(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COCCCCC3CCCCC3)C(=O)N(C)C(CCSC)C(=O)O

InChI

InChI=1S/C31H43NO4S/c1-23-11-7-8-15-26(23)28-21-25(22-36-19-10-9-14-24-12-5-4-6-13-24)16-17-27(28)30(33)32(2)29(31(34)35)18-20-37-3/h7-8,11,15-17,21,24,29H,4-6,9-10,12-14,18-20,22H2,1-3H3,(H,34,35)