4-[4-ethoxy-4-oxidanylidene-1-(3-phenylpyrazol-1-yl)butyl]benzoic acid

Systemtic Name: 4-[4-ethoxy-4-oxidanylidene-1-(3-phenylpyrazol-1-yl)butyl]benzoic acid Openeye Name: 4-[4-ethoxy-4-oxo-1-(3-phenylpyrazol-1-yl)butyl]benzoic acid CAS Name: 4-[4-ethoxy-4-oxo-1-(3-phenyl-1-pyrazolyl)butyl]benzoic acid IUPAC Name: 4-[4-ethoxy-4-oxo-1-(3-phenylpyrazol-1-yl)butyl]benzoic acid Traditional Name: 4-[4-ethoxy-4-keto-1-(3-phenylpyrazol-1-yl)butyl]benzoic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C1=CC=C(C=C1)C(=O)O)N2C=CC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCC(C1=CC=C(C=C1)C(=O)O)N2C=CC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4/c1-2-28-21(25)13-12-20(17-8-10-18(11-9-17)22(26)27)24-15-14-19(23-24)16-6-4-3-5-7-16/h3-11,14-15,20H,2,12-13H2,1H3,(H,26,27)