(5S)-1-(3,5-dimethylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

Systemtic Name: (5S)-1-(3,5-dimethylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid Openeye Name: (5S)-1-(3,5-dimethylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid CAS Name: (5S)-1-(3,5-dimethylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid IUPAC Name: (5S)-1-(3,5-dimethylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid Traditional Name: (5S)-1-(3,5-dimethylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid Formula: C17H20N2O2 MolecularWeight: 284.3529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=NN2C3=CC(=CC(=C3)C)C)C(=O)O

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=NN2C3=CC(=CC(=C3)C)C)C(=O)O

InChI

InChI=1S/C17H20N2O2/c1-10-4-5-15-14(9-10)16(17(20)21)18-19(15)13-7-11(2)6-12(3)8-13/h6-8,10H,4-5,9H2,1-3H3,(H,20,21)/t10-/m0/s1