1-(4-ethoxy-4-oxidanylidene-butyl)-3-phenylmethoxy-pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-ethoxy-4-oxidanylidene-butyl)-3-phenylmethoxy-pyrazole-4-carboxylic acid Openeye Name: 3-benzyloxy-1-(4-ethoxy-4-oxo-butyl)pyrazole-4-carboxylic acid CAS Name: 1-(4-ethoxy-4-oxobutyl)-3-phenylmethoxy-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-ethoxy-4-oxobutyl)-3-phenylmethoxypyrazole-4-carboxylic acid Traditional Name: 3-benzoxy-1-(4-ethoxy-4-keto-butyl)pyrazole-4-carboxylic acid Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=C(C(=N1)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCOC(=O)CCCN1C=C(C(=N1)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H20N2O5/c1-2-23-15(20)9-6-10-19-11-14(17(21)22)16(18-19)24-12-13-7-4-3-5-8-13/h3-5,7-8,11H,2,6,9-10,12H2,1H3,(H,21,22)