4-[3-(3-cyclopentyloxy-4-methoxy-phenyl)-5-oxidanylidene-4H-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[3-(3-cyclopentyloxy-4-methoxy-phenyl)-5-oxidanylidene-4H-pyrazol-1-yl]benzoic acid Openeye Name: 4-[3-[3-(cyclopentoxy)-4-methoxy-phenyl]-5-oxo-4H-pyrazol-1-yl]benzoic acid CAS Name: 4-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxo-4H-pyrazol-1-yl]benzoic acid IUPAC Name: 4-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxo-4H-pyrazol-1-yl]benzoic acid Traditional Name: 4-[3-[3-(cyclopentoxy)-4-methoxy-phenyl]-5-keto-2-pyrazolin-1-yl]benzoic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C2)C3=CC=C(C=C3)C(=O)O)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C2)C3=CC=C(C=C3)C(=O)O)OC4CCCC4

InChI

InChI=1S/C22H22N2O5/c1-28-19-11-8-15(12-20(19)29-17-4-2-3-5-17)18-13-21(25)24(23-18)16-9-6-14(7-10-16)22(26)27/h6-12,17H,2-5,13H2,1H3,(H,26,27)