dimethyl (5S,6S)-1-phenyl-4,5,6,7-tetrahydroindazole-5,6-dicarboxylate

Systemtic Name: dimethyl (5S,6S)-1-phenyl-4,5,6,7-tetrahydroindazole-5,6-dicarboxylate Openeye Name: dimethyl (5S,6S)-1-phenyl-4,5,6,7-tetrahydroindazole-5,6-dicarboxylate CAS Name: (5S,6S)-1-phenyl-4,5,6,7-tetrahydroindazole-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (5S,6S)-1-phenyl-4,5,6,7-tetrahydroindazole-5,6-dicarboxylate Traditional Name: (5S,6S)-1-phenyl-4,5,6,7-tetrahydroindazole-5,6-dicarboxylic acid dimethyl ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(CC1C(=O)OC)N(N=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H]1CC2=C(C[C@@H]1C(=O)OC)N(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H18N2O4/c1-22-16(20)13-8-11-10-18-19(12-6-4-3-5-7-12)15(11)9-14(13)17(21)23-2/h3-7,10,13-14H,8-9H2,1-2H3/t13-,14-/m0/s1