5-hepta-2,4,6-triynoxy-2-[2-methoxycarbonyl-6-(2-methylpropylcarbamoyl)pyridin-3-yl]benzoic acid

Systemtic Name: 5-hepta-2,4,6-triynoxy-2-[2-methoxycarbonyl-6-(2-methylpropylcarbamoyl)pyridin-3-yl]benzoic acid Openeye Name: 5-hepta-2,4,6-triynoxy-2-[6-(isobutylcarbamoyl)-2-methoxycarbonyl-3-pyridyl]benzoic acid CAS Name: 5-hepta-2,4,6-triynoxy-2-[2-methoxycarbonyl-6-[(2-methylpropylamino)-oxomethyl]-3-pyridinyl]benzoic acid IUPAC Name: 5-hepta-2,4,6-triynoxy-2-[2-methoxycarbonyl-6-(2-methylpropylcarbamoyl)pyridin-3-yl]benzoic acid Traditional Name: 2-[2-carbomethoxy-6-(isobutylcarbamoyl)-3-pyridyl]-5-hepta-2,4,6-triynoxy-benzoic acid Formula: C26H22N2O6 MolecularWeight: 458.46268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=NC(=C(C=C1)C2=C(C=C(C=C2)OCC#CC#CC#C)C(=O)O)C(=O)OC

Isomeric SMILES

CC(C)CNC(=O)C1=NC(=C(C=C1)C2=C(C=C(C=C2)OCC#CC#CC#C)C(=O)O)C(=O)OC

InChI

InChI=1S/C26H22N2O6/c1-5-6-7-8-9-14-34-18-10-11-19(21(15-18)25(30)31)20-12-13-22(24(29)27-16-17(2)3)28-23(20)26(32)33-4/h1,10-13,15,17H,14,16H2,2-4H3,(H,27,29)(H,30,31)