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

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

CCCOCC(CC1CCCCC1)OCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)OC)C3=CC=CC=C3C

Isomeric SMILES

CCCOCC(CC1CCCCC1)OCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)OC)C3=CC=CC=C3C

InChI

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