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

Systemtic Name: methyl 2-[[4-[(3-cyclohexyl-1-pyridazin-4-yl-propoxy)methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-[(3-cyclohexyl-1-pyridazin-4-yl-propoxy)methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[[3-cyclohexyl-1-(4-pyridazinyl)propoxy]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(3-cyclohexyl-1-pyridazin-4-ylpropoxy)methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[(3-cyclohexyl-1-pyridazin-4-yl-propoxy)methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C34H43N3O4S MolecularWeight: 589.78792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COC(CCC3CCCCC3)C4=CN=NC=C4)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COC(CCC3CCCCC3)C4=CN=NC=C4)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C34H43N3O4S/c1-24-9-7-8-12-28(24)30-21-26(13-15-29(30)33(38)37-31(18-20-42-3)34(39)40-2)23-41-32(27-17-19-35-36-22-27)16-14-25-10-5-4-6-11-25/h7-9,12-13,15,17,19,21-22,25,31-32H,4-6,10-11,14,16,18,20,23H2,1-3H3,(H,37,38)