1-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylic acid

Systemtic Name: 1-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylic acid Openeye Name: 1-(m-tolyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylic acid CAS Name: 1-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylic acid IUPAC Name: 1-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylic acid Traditional Name: 1-(m-tolyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylic acid Formula: C16H18N2O2 MolecularWeight: 270.32632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(CCCCC3)C(=N2)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(CCCCC3)C(=N2)C(=O)O

InChI

InChI=1S/C16H18N2O2/c1-11-6-5-7-12(10-11)18-14-9-4-2-3-8-13(14)15(17-18)16(19)20/h5-7,10H,2-4,8-9H2,1H3,(H,19,20)