4-[(E)-3-[2,4-dimethoxy-5-(1H-pyrazol-4-yl)phenyl]prop-2-enoyl]benzoic acid

Systemtic Name: 4-[(E)-3-[2,4-dimethoxy-5-(1H-pyrazol-4-yl)phenyl]prop-2-enoyl]benzoic acid Openeye Name: 4-[(E)-3-[2,4-dimethoxy-5-(1H-pyrazol-4-yl)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[(E)-3-[2,4-dimethoxy-5-(1H-pyrazol-4-yl)phenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[2,4-dimethoxy-5-(1H-pyrazol-4-yl)phenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-[(E)-3-[2,4-dimethoxy-5-(1H-pyrazol-4-yl)phenyl]acryloyl]benzoic acid Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CNN=C2)C=CC(=O)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1C2=CNN=C2)/C=C/C(=O)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C21H18N2O5/c1-27-19-10-20(28-2)17(16-11-22-23-12-16)9-15(19)7-8-18(24)13-3-5-14(6-4-13)21(25)26/h3-12H,1-2H3,(H,22,23)(H,25,26)/b8-7+