2-[2-[[6-(phenoxymethyl)pyridin-2-yl]carbonylamino]-1,3-thiazol-4-yl]octanoic acid

Systemtic Name: 2-[2-[[6-(phenoxymethyl)pyridin-2-yl]carbonylamino]-1,3-thiazol-4-yl]octanoic acid Openeye Name: 2-[2-[[6-(phenoxymethyl)pyridine-2-carbonyl]amino]thiazol-4-yl]octanoic acid CAS Name: 2-[2-[[oxo-[6-(phenoxymethyl)-2-pyridinyl]methyl]amino]-4-thiazolyl]octanoic acid IUPAC Name: 2-[2-[[6-(phenoxymethyl)pyridine-2-carbonyl]amino]-1,3-thiazol-4-yl]octanoic acid Traditional Name: 2-[2-[[6-(phenoxymethyl)picolinoyl]amino]thiazol-4-yl]caprylic acid Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=CSC(=N1)NC(=O)C2=NC(=CC=C2)COC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCCC(C1=CSC(=N1)NC(=O)C2=NC(=CC=C2)COC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H27N3O4S/c1-2-3-4-8-13-19(23(29)30)21-16-32-24(26-21)27-22(28)20-14-9-10-17(25-20)15-31-18-11-6-5-7-12-18/h5-7,9-12,14,16,19H,2-4,8,13,15H2,1H3,(H,29,30)(H,26,27,28)