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

Systemtic Name: 4-[2-[2,4-dimethoxy-5-(1H-pyrazol-4-yl)phenyl]prop-2-enoyl]benzoic acid Openeye Name: 4-[2-[2,4-dimethoxy-5-(1H-pyrazol-4-yl)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[2-[2,4-dimethoxy-5-(1H-pyrazol-4-yl)phenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[2-[2,4-dimethoxy-5-(1H-pyrazol-4-yl)phenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-[2-[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(=C)C(=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/c1-12(20(24)13-4-6-14(7-5-13)21(25)26)16-8-17(15-10-22-23-11-15)19(28-3)9-18(16)27-2/h4-11H,1H2,2-3H3,(H,22,23)(H,25,26)