(5S)-1-(4-tert-butylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate

Systemtic Name: (5S)-1-(4-tert-butylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate Openeye Name: (5S)-1-(4-tert-butylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate CAS Name: (5S)-1-(4-tert-butylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate IUPAC Name: (5S)-1-(4-tert-butylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate Traditional Name: (5S)-1-(4-tert-butylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate Formula: C19H23N2O2- MolecularWeight: 311.39812

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=NN2C3=CC=C(C=C3)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O2/c1-12-5-10-16-15(11-12)17(18(22)23)20-21(16)14-8-6-13(7-9-14)19(2,3)4/h6-9,12H,5,10-11H2,1-4H3,(H,22,23)/p-1/t12-/m0/s1