4-[3-cyclohexylpropoxy(pyridazin-4-yl)methyl]-2-(2-methylphenyl)benzoic acid

Systemtic Name: 4-[3-cyclohexylpropoxy(pyridazin-4-yl)methyl]-2-(2-methylphenyl)benzoic acid Openeye Name: 4-[3-cyclohexylpropoxy(pyridazin-4-yl)methyl]-2-(o-tolyl)benzoic acid CAS Name: 4-[3-cyclohexylpropoxy(4-pyridazinyl)methyl]-2-(2-methylphenyl)benzoic acid IUPAC Name: 4-[3-cyclohexylpropoxy(pyridazin-4-yl)methyl]-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[3-cyclohexylpropoxy(pyridazin-4-yl)methyl]-2-(o-tolyl)benzoic acid Formula: C28H32N2O3 MolecularWeight: 444.56528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C(C3=CN=NC=C3)OCCCC4CCCCC4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)C(C3=CN=NC=C3)OCCCC4CCCCC4)C(=O)O

InChI

InChI=1S/C28H32N2O3/c1-20-8-5-6-12-24(20)26-18-22(13-14-25(26)28(31)32)27(23-15-16-29-30-19-23)33-17-7-11-21-9-3-2-4-10-21/h5-6,8,12-16,18-19,21,27H,2-4,7,9-11,17H2,1H3,(H,31,32)