2,4-bis(oxidanylidene)-4-[3-(phenylmethyl)-5-pyrazin-2-yl-phenyl]butanoic acid

Systemtic Name: 2,4-bis(oxidanylidene)-4-[3-(phenylmethyl)-5-pyrazin-2-yl-phenyl]butanoic acid Openeye Name: 4-(3-benzyl-5-pyrazin-2-yl-phenyl)-2,4-dioxo-butanoic acid CAS Name: 2,4-dioxo-4-[3-(phenylmethyl)-5-(2-pyrazinyl)phenyl]butanoic acid IUPAC Name: 4-(3-benzyl-5-pyrazin-2-ylphenyl)-2,4-dioxobutanoic acid Traditional Name: 4-(3-benzyl-5-pyrazin-2-yl-phenyl)-2,4-diketo-butyric acid Formula: C21H16N2O4 MolecularWeight: 360.36274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=CC(=C2)C(=O)CC(=O)C(=O)O)C3=NC=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=CC(=C2)C(=O)CC(=O)C(=O)O)C3=NC=CN=C3

InChI

InChI=1S/C21H16N2O4/c24-19(12-20(25)21(26)27)17-10-15(8-14-4-2-1-3-5-14)9-16(11-17)18-13-22-6-7-23-18/h1-7,9-11,13H,8,12H2,(H,26,27)