1-methyl-5-oxidanylidene-4-phenylmethoxy-2-(phenylmethoxymethyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-methyl-5-oxidanylidene-4-phenylmethoxy-2-(phenylmethoxymethyl)pyrazole-3-carboxylic acid Openeye Name: 4-benzyloxy-2-(benzyloxymethyl)-1-methyl-5-oxo-pyrazole-3-carboxylic acid CAS Name: 1-methyl-5-oxo-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-oxo-4-phenylmethoxy-2-(phenylmethoxymethyl)pyrazole-3-carboxylic acid Traditional Name: 4-benzoxy-2-(benzoxymethyl)-5-keto-1-methyl-3-pyrazoline-3-carboxylic acid Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N1COCC2=CC=CC=C2)C(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C(=C(N1COCC2=CC=CC=C2)C(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O5/c1-21-19(23)18(27-13-16-10-6-3-7-11-16)17(20(24)25)22(21)14-26-12-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3,(H,24,25)