2-[[4-[[3-(4-methylphenyl)-6-oxidanylidene-4-phenyl-pyridazin-1-yl]methyl]cyclohexyl]methoxy]ethanoic acid

Systemtic Name: 2-[[4-[[3-(4-methylphenyl)-6-oxidanylidene-4-phenyl-pyridazin-1-yl]methyl]cyclohexyl]methoxy]ethanoic acid Openeye Name: 2-[[4-[[6-oxo-4-phenyl-3-(p-tolyl)pyridazin-1-yl]methyl]cyclohexyl]methoxy]acetic acid CAS Name: 2-[[4-[[3-(4-methylphenyl)-6-oxo-4-phenyl-1-pyridazinyl]methyl]cyclohexyl]methoxy]acetic acid IUPAC Name: 2-[[4-[[3-(4-methylphenyl)-6-oxo-4-phenylpyridazin-1-yl]methyl]cyclohexyl]methoxy]acetic acid Traditional Name: 2-[[4-[[6-keto-4-phenyl-3-(p-tolyl)pyridazin-1-yl]methyl]cyclohexyl]methoxy]acetic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2C3=CC=CC=C3)CC4CCC(CC4)COCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2C3=CC=CC=C3)CC4CCC(CC4)COCC(=O)O

InChI

InChI=1S/C27H30N2O4/c1-19-7-13-23(14-8-19)27-24(22-5-3-2-4-6-22)15-25(30)29(28-27)16-20-9-11-21(12-10-20)17-33-18-26(31)32/h2-8,13-15,20-21H,9-12,16-18H2,1H3,(H,31,32)