(5S)-5-tert-butyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate

Systemtic Name: (5S)-5-tert-butyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Openeye Name: (5S)-5-tert-butyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate CAS Name: (5S)-5-tert-butyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate IUPAC Name: (5S)-5-tert-butyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Traditional Name: (5S)-5-tert-butyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Formula: C18H20ClN2O2- MolecularWeight: 331.8166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C(=NN2C3=CC(=CC=C3)Cl)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O2/c1-18(2,3)11-7-8-15-14(9-11)16(17(22)23)20-21(15)13-6-4-5-12(19)10-13/h4-6,10-11H,7-9H2,1-3H3,(H,22,23)/p-1/t11-/m0/s1