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

Systemtic Name: 4-[2-(2,4-dimethoxy-5-pyrazin-2-yl-phenyl)prop-2-enoyl]benzoic acid Openeye Name: 4-[2-(2,4-dimethoxy-5-pyrazin-2-yl-phenyl)prop-2-enoyl]benzoic acid CAS Name: 4-[2-[2,4-dimethoxy-5-(2-pyrazinyl)phenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[2-(2,4-dimethoxy-5-pyrazin-2-ylphenyl)prop-2-enoyl]benzoic acid Traditional Name: 4-[2-(2,4-dimethoxy-5-pyrazin-2-yl-phenyl)acryloyl]benzoic acid Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=NC=CN=C2)C(=C)C(=O)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1C2=NC=CN=C2)C(=C)C(=O)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C22H18N2O5/c1-13(21(25)14-4-6-15(7-5-14)22(26)27)16-10-17(18-12-23-8-9-24-18)20(29-3)11-19(16)28-2/h4-12H,1H2,2-3H3,(H,26,27)