methyl 2-[[4-(dibutylphosphorylmethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-(dibutylphosphorylmethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-(dibutylphosphorylmethyl)-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-(dibutylphosphorylmethyl)-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-(dibutylphosphorylmethyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-(dibutylphosphorylmethyl)-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C29H42NO4PS MolecularWeight: 531.686841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCP(=O)(CCCC)CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)OC)C2=CC=CC=C2C

Isomeric SMILES

CCCCP(=O)(CCCC)CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)OC)C2=CC=CC=C2C

InChI

InChI=1S/C29H42NO4PS/c1-6-8-17-35(33,18-9-7-2)21-23-14-15-25(26(20-23)24-13-11-10-12-22(24)3)28(31)30-27(16-19-36-5)29(32)34-4/h10-15,20,27H,6-9,16-19,21H2,1-5H3,(H,30,31)