methyl 2-[[4-[(1-cyclohexyl-3-methoxy-propan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-[(1-cyclohexyl-3-methoxy-propan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-[[1-(cyclohexylmethyl)-2-methoxy-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[(1-cyclohexyl-3-methoxypropan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(1-cyclohexyl-3-methoxypropan-2-yl)oxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[[1-(cyclohexylmethyl)-2-methoxy-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C31H43NO5S MolecularWeight: 541.74182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COC(CC3CCCCC3)COC)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COC(CC3CCCCC3)COC)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C31H43NO5S/c1-22-10-8-9-13-26(22)28-19-24(20-37-25(21-35-2)18-23-11-6-5-7-12-23)14-15-27(28)30(33)32-29(16-17-38-4)31(34)36-3/h8-10,13-15,19,23,25,29H,5-7,11-12,16-18,20-21H2,1-4H3,(H,32,33)