[2-(4-butylphenyl)-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate Openeye Name: [2-(4-butylphenyl)-2-oxo-ethyl] 1H-indazole-3-carboxylate CAS Name: 1H-indazole-3-carboxylic acid [2-(4-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-2-oxoethyl] 1H-indazole-3-carboxylate Traditional Name: 1H-indazole-3-carboxylic acid [2-(4-butylphenyl)-2-keto-ethyl] ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=NNC3=CC=CC=C32

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=NNC3=CC=CC=C32

InChI

InChI=1S/C20H20N2O3/c1-2-3-6-14-9-11-15(12-10-14)18(23)13-25-20(24)19-16-7-4-5-8-17(16)21-22-19/h4-5,7-12H,2-3,6,13H2,1H3,(H,21,22)