4-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)-2H-pyrazin-5-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)-2H-pyrazin-5-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)-2H-pyrazin-5-yl]-4-oxo-butanoic acid CAS Name: 4-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)-2H-pyrazin-5-yl]-4-oxobutanoic acid IUPAC Name: 4-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)-2H-pyrazin-5-yl]-4-oxobutanoic acid Traditional Name: 4-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)-2H-pyrazin-5-yl]-4-keto-butyric acid Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC(=NC(=C2)C(=O)CCC(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CC(=NC(=C2)C(=O)CCC(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClN2O4/c1-28-17-8-6-16(7-9-17)24-12-18(14-2-4-15(22)5-3-14)23-19(13-24)20(25)10-11-21(26)27/h2-9,13H,10-12H2,1H3,(H,26,27)