3-[7-oxidanylidene-7-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptyl]benzoic acid

Systemtic Name: 3-[7-oxidanylidene-7-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptyl]benzoic acid Openeye Name: 3-[7-oxo-7-[5-(2-pyridyl)oxazol-2-yl]heptyl]benzoic acid CAS Name: 3-[7-oxo-7-[5-(2-pyridinyl)-2-oxazolyl]heptyl]benzoic acid IUPAC Name: 3-[7-oxo-7-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptyl]benzoic acid Traditional Name: 3-[7-keto-7-[5-(2-pyridyl)oxazol-2-yl]heptyl]benzoic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=CN=C(O2)C(=O)CCCCCCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)C2=CN=C(O2)C(=O)CCCCCCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H22N2O4/c25-19(21-24-15-20(28-21)18-11-5-6-13-23-18)12-4-2-1-3-8-16-9-7-10-17(14-16)22(26)27/h5-7,9-11,13-15H,1-4,8,12H2,(H,26,27)