[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (2-indan-5-yl-2-oxo-ethyl) 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid (2-indan-5-yl-2-keto-ethyl) ester Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)COC(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)COC(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H20N2O3/c25-21(19-10-9-17-7-4-8-18(17)11-19)15-27-22(26)20-12-23-24(14-20)13-16-5-2-1-3-6-16/h1-3,5-6,9-12,14H,4,7-8,13,15H2