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

Systemtic Name: 2-[[4-[[3-(3-methoxyphenyl)-6-oxidanylidene-4-phenyl-pyridazin-1-yl]methyl]cyclohexyl]methoxy]ethanoic acid Openeye Name: 2-[[4-[[3-(3-methoxyphenyl)-6-oxo-4-phenyl-pyridazin-1-yl]methyl]cyclohexyl]methoxy]acetic acid CAS Name: 2-[[4-[[3-(3-methoxyphenyl)-6-oxo-4-phenyl-1-pyridazinyl]methyl]cyclohexyl]methoxy]acetic acid IUPAC Name: 2-[[4-[[3-(3-methoxyphenyl)-6-oxo-4-phenylpyridazin-1-yl]methyl]cyclohexyl]methoxy]acetic acid Traditional Name: 2-[[4-[[6-keto-3-(3-methoxyphenyl)-4-phenyl-pyridazin-1-yl]methyl]cyclohexyl]methoxy]acetic acid Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C(=O)C=C2C3=CC=CC=C3)CC4CCC(CC4)COCC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C(=O)C=C2C3=CC=CC=C3)CC4CCC(CC4)COCC(=O)O

InChI

InChI=1S/C27H30N2O5/c1-33-23-9-5-8-22(14-23)27-24(21-6-3-2-4-7-21)15-25(30)29(28-27)16-19-10-12-20(13-11-19)17-34-18-26(31)32/h2-9,14-15,19-20H,10-13,16-18H2,1H3,(H,31,32)