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

Systemtic Name: 2-[[4-[[4-(3-methylphenyl)-6-oxidanylidene-3-phenyl-pyridazin-1-yl]methyl]cyclohexyl]methoxy]ethanoic acid Openeye Name: 2-[[4-[[4-(m-tolyl)-6-oxo-3-phenyl-pyridazin-1-yl]methyl]cyclohexyl]methoxy]acetic acid CAS Name: 2-[[4-[[4-(3-methylphenyl)-6-oxo-3-phenyl-1-pyridazinyl]methyl]cyclohexyl]methoxy]acetic acid IUPAC Name: 2-[[4-[[4-(3-methylphenyl)-6-oxo-3-phenylpyridazin-1-yl]methyl]cyclohexyl]methoxy]acetic acid Traditional Name: 2-[[4-[[6-keto-4-(m-tolyl)-3-phenyl-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=CC(=C1)C2=CC(=O)N(N=C2C3=CC=CC=C3)CC4CCC(CC4)COCC(=O)O

Isomeric SMILES

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

InChI

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