4-[5-(4-carboxyphenyl)-3,6-dimethyl-pyrazin-2-yl]benzoic acid

Systemtic Name: 4-[5-(4-carboxyphenyl)-3,6-dimethyl-pyrazin-2-yl]benzoic acid Openeye Name: 4-[5-(4-carboxyphenyl)-3,6-dimethyl-pyrazin-2-yl]benzoic acid CAS Name: 4-[5-(4-carboxyphenyl)-3,6-dimethyl-2-pyrazinyl]benzoic acid IUPAC Name: 4-[5-(4-carboxyphenyl)-3,6-dimethylpyrazin-2-yl]benzoic acid Traditional Name: 4-[5-(4-carboxyphenyl)-3,6-dimethyl-pyrazin-2-yl]benzoic acid Formula: C20H16N2O4 MolecularWeight: 348.35204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=N1)C2=CC=C(C=C2)C(=O)O)C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(N=C(C(=N1)C2=CC=C(C=C2)C(=O)O)C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H16N2O4/c1-11-17(13-3-7-15(8-4-13)19(23)24)22-12(2)18(21-11)14-5-9-16(10-6-14)20(25)26/h3-10H,1-2H3,(H,23,24)(H,25,26)