3-[[5-octoxy-6-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]pyridin-2-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[5-octoxy-6-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]pyridin-2-yl]carbonylamino]benzoic acid Openeye Name: 3-[[6-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-5-octoxy-pyridine-2-carbonyl]amino]benzoic acid CAS Name: 3-[[[6-[(E)-3-hydroxy-3-oxoprop-1-enyl]-5-octoxy-2-pyridinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[6-[(E)-3-hydroxy-3-oxoprop-1-enyl]-5-octoxypyridine-2-carbonyl]amino]benzoic acid Traditional Name: 3-[[6-[(E)-3-hydroxy-3-keto-prop-1-enyl]-5-octoxy-picolinoyl]amino]benzoic acid Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(N=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)C=CC(=O)O

Isomeric SMILES

CCCCCCCCOC1=C(N=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)/C=C/C(=O)O

InChI

InChI=1S/C24H28N2O6/c1-2-3-4-5-6-7-15-32-21-13-11-20(26-19(21)12-14-22(27)28)23(29)25-18-10-8-9-17(16-18)24(30)31/h8-14,16H,2-7,15H2,1H3,(H,25,29)(H,27,28)(H,30,31)/b14-12+