2-[3-oxidanylidene-1-(phenylcarbonyl)-2-propan-2-yl-5-(3,4,5-triacetyloxyphenyl)-2H-pyrazin-4-yl]ethanoic acid

Systemtic Name: 2-[3-oxidanylidene-1-(phenylcarbonyl)-2-propan-2-yl-5-(3,4,5-triacetyloxyphenyl)-2H-pyrazin-4-yl]ethanoic acid Openeye Name: 2-[1-benzoyl-2-isopropyl-3-oxo-5-(3,4,5-triacetoxyphenyl)-2H-pyrazin-4-yl]acetic acid CAS Name: 2-[1-benzoyl-3-oxo-2-propan-2-yl-5-(3,4,5-triacetyloxyphenyl)-2H-pyrazin-4-yl]acetic acid IUPAC Name: 2-[1-benzoyl-3-oxo-2-propan-2-yl-5-(3,4,5-triacetyloxyphenyl)-2H-pyrazin-4-yl]acetic acid Traditional Name: 2-[1-benzoyl-2-isopropyl-3-keto-5-(3,4,5-triacetoxyphenyl)-2H-pyrazin-4-yl]acetic acid Formula: C28H28N2O10 MolecularWeight: 552.52932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(=CN1C(=O)C2=CC=CC=C2)C3=CC(=C(C(=C3)OC(=O)C)OC(=O)C)OC(=O)C)CC(=O)O

Isomeric SMILES

CC(C)C1C(=O)N(C(=CN1C(=O)C2=CC=CC=C2)C3=CC(=C(C(=C3)OC(=O)C)OC(=O)C)OC(=O)C)CC(=O)O

InChI

InChI=1S/C28H28N2O10/c1-15(2)25-28(37)29(14-24(34)35)21(13-30(25)27(36)19-9-7-6-8-10-19)20-11-22(38-16(3)31)26(40-18(5)33)23(12-20)39-17(4)32/h6-13,15,25H,14H2,1-5H3,(H,34,35)