5,6-bis(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrazine-2-carboxylic acid

Systemtic Name: 5,6-bis(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrazine-2-carboxylic acid Openeye Name: 3-tert-butoxycarbonyl-5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid CAS Name: 5,6-bis(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 5,6-bis(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrazine-2-carboxylic acid Traditional Name: 3-tert-butoxycarbonyl-5,6-bis(4-chlorophenyl)pyrazinoic acid Formula: C22H18Cl2N2O4 MolecularWeight: 445.29532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=NC(=C(N=C1C(=O)O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1=NC(=C(N=C1C(=O)O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H18Cl2N2O4/c1-22(2,3)30-21(29)19-18(20(27)28)25-16(12-4-8-14(23)9-5-12)17(26-19)13-6-10-15(24)11-7-13/h4-11H,1-3H3,(H,27,28)