3-(1-adamantyloxymethyl)-1-(2-methylphenyl)pyrazole-4-carboxylic acid

Systemtic Name: 3-(1-adamantyloxymethyl)-1-(2-methylphenyl)pyrazole-4-carboxylic acid Openeye Name: 3-(1-adamantyloxymethyl)-1-(o-tolyl)pyrazole-4-carboxylic acid CAS Name: 3-(1-adamantyloxymethyl)-1-(2-methylphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-(1-adamantyloxymethyl)-1-(2-methylphenyl)pyrazole-4-carboxylic acid Traditional Name: 3-(1-adamantyloxymethyl)-1-(o-tolyl)pyrazole-4-carboxylic acid Formula: C22H26N2O3 MolecularWeight: 366.45344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=C(C(=N2)COC34CC5CC(C3)CC(C5)C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C=C(C(=N2)COC34CC5CC(C3)CC(C5)C4)C(=O)O

InChI

InChI=1S/C22H26N2O3/c1-14-4-2-3-5-20(14)24-12-18(21(25)26)19(23-24)13-27-22-9-15-6-16(10-22)8-17(7-15)11-22/h2-5,12,15-17H,6-11,13H2,1H3,(H,25,26)