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

Systemtic Name: methyl 2-[[4-[(1-cyclohexyl-3-propan-2-yloxy-propan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-[[1-(cyclohexylmethyl)-2-isopropoxy-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[(1-cyclohexyl-3-propan-2-yloxypropan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(1-cyclohexyl-3-propan-2-yloxypropan-2-yl)oxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[[1-(cyclohexylmethyl)-2-isopropoxy-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C33H47NO5S MolecularWeight: 569.79498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H47NO5S/c1-23(2)38-22-27(19-25-12-7-6-8-13-25)39-21-26-15-16-29(30(20-26)28-14-10-9-11-24(28)3)32(35)34-31(17-18-40-5)33(36)37-4/h9-11,14-16,20,23,25,27,31H,6-8,12-13,17-19,21-22H2,1-5H3,(H,34,35)