lithium 2-[[4-(1-cyclohexylhexan-2-yloxymethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: lithium 2-[[4-(1-cyclohexylhexan-2-yloxymethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: lithium 2-[[4-[1-(cyclohexylmethyl)pentoxymethyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: lithium 2-[[[4-(1-cyclohexylhexan-2-yloxymethyl)-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: lithium 2-[[4-(1-cyclohexylhexan-2-yloxymethyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: lithium 2-[[4-[1-(cyclohexylmethyl)pentoxymethyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyrate Formula: C32H44LiNO4S MolecularWeight: 545.70206

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CCCCC(CC1CCCCC1)OCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)[O-])C3=CC=CC=C3C

Isomeric SMILES

[Li+].CCCCC(CC1CCCCC1)OCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)[O-])C3=CC=CC=C3C

InChI

InChI=1S/C32H45NO4S.Li/c1-4-5-14-26(20-24-12-7-6-8-13-24)37-22-25-16-17-28(29(21-25)27-15-10-9-11-23(27)2)31(34)33-30(32(35)36)18-19-38-3;/h9-11,15-17,21,24,26,30H,4-8,12-14,18-20,22H2,1-3H3,(H,33,34)(H,35,36);/q;+1/p-1