(5R)-5-tert-butyl-1-(3-chloranyl-4-methyl-phenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate

Systemtic Name: (5R)-5-tert-butyl-1-(3-chloranyl-4-methyl-phenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Openeye Name: (5R)-5-tert-butyl-1-(3-chloro-4-methyl-phenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate CAS Name: (5R)-5-tert-butyl-1-(3-chloro-4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate IUPAC Name: (5R)-5-tert-butyl-1-(3-chloro-4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Traditional Name: (5R)-5-tert-butyl-1-(3-chloro-4-methyl-phenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Formula: C19H22ClN2O2- MolecularWeight: 345.84318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN2O2/c1-11-5-7-13(10-15(11)20)22-16-8-6-12(19(2,3)4)9-14(16)17(21-22)18(23)24/h5,7,10,12H,6,8-9H2,1-4H3,(H,23,24)/p-1/t12-/m1/s1