(3-chloranyl-4-methyl-phenyl) 8-[(4-methoxy-3-oxidanyl-pyridin-2-yl)carbonylamino]octanoate

Systemtic Name: (3-chloranyl-4-methyl-phenyl) 8-[(4-methoxy-3-oxidanyl-pyridin-2-yl)carbonylamino]octanoate Openeye Name: (3-chloro-4-methyl-phenyl) 8-[(3-hydroxy-4-methoxy-pyridine-2-carbonyl)amino]octanoate CAS Name: 8-[[(3-hydroxy-4-methoxy-2-pyridinyl)-oxomethyl]amino]octanoic acid (3-chloro-4-methylphenyl) ester IUPAC Name: (3-chloro-4-methylphenyl) 8-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]octanoate Traditional Name: 8-[(3-hydroxy-4-methoxy-picolinoyl)amino]caprylic acid (3-chloro-4-methyl-phenyl) ester Formula: C22H27ClN2O5 MolecularWeight: 434.91318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)CCCCCCCNC(=O)C2=NC=CC(=C2O)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)CCCCCCCNC(=O)C2=NC=CC(=C2O)OC)Cl

InChI

InChI=1S/C22H27ClN2O5/c1-15-9-10-16(14-17(15)23)30-19(26)8-6-4-3-5-7-12-25-22(28)20-21(27)18(29-2)11-13-24-20/h9-11,13-14,27H,3-8,12H2,1-2H3,(H,25,28)