(5R)-1-(3-chloranyl-4-methoxy-phenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

Systemtic Name: (5R)-1-(3-chloranyl-4-methoxy-phenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid Openeye Name: (5R)-1-(3-chloro-4-methoxy-phenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid CAS Name: (5R)-1-(3-chloro-4-methoxyphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid IUPAC Name: (5R)-1-(3-chloro-4-methoxyphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid Traditional Name: (5R)-1-(3-chloro-4-methoxy-phenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid Formula: C16H17ClN2O3 MolecularWeight: 320.77078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O3/c1-9-3-5-13-11(7-9)15(16(20)21)18-19(13)10-4-6-14(22-2)12(17)8-10/h4,6,8-9H,3,5,7H2,1-2H3,(H,20,21)/t9-/m1/s1