(5R)-5-tert-butyl-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate

Systemtic Name: (5R)-5-tert-butyl-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Openeye Name: (5R)-5-tert-butyl-1-(p-tolyl)-4,5,6,7-tetrahydroindazole-3-carboxylate CAS Name: (5R)-5-tert-butyl-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate IUPAC Name: (5R)-5-tert-butyl-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Traditional Name: (5R)-5-tert-butyl-1-(p-tolyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Formula: C19H23N2O2- MolecularWeight: 311.39812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(CC(CC3)C(C)(C)C)C(=N2)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C[C@@H](CC3)C(C)(C)C)C(=N2)C(=O)[O-]

InChI

InChI=1S/C19H24N2O2/c1-12-5-8-14(9-6-12)21-16-10-7-13(19(2,3)4)11-15(16)17(20-21)18(22)23/h5-6,8-9,13H,7,10-11H2,1-4H3,(H,22,23)/p-1/t13-/m1/s1