5-cyano-9-methoxy-5-(7-methoxy-2-propan-2-yl-1,3-benzoxazol-4-yl)-9-oxidanylidene-nonanoic acid

Systemtic Name: 5-cyano-9-methoxy-5-(7-methoxy-2-propan-2-yl-1,3-benzoxazol-4-yl)-9-oxidanylidene-nonanoic acid Openeye Name: 5-cyano-5-(2-isopropyl-7-methoxy-1,3-benzoxazol-4-yl)-9-methoxy-9-oxo-nonanoic acid CAS Name: 5-cyano-9-methoxy-5-(7-methoxy-2-propan-2-yl-1,3-benzoxazol-4-yl)-9-oxononanoic acid IUPAC Name: 5-cyano-9-methoxy-5-(7-methoxy-2-propan-2-yl-1,3-benzoxazol-4-yl)-9-oxononanoic acid Traditional Name: 5-cyano-5-(2-isopropyl-7-methoxy-1,3-benzoxazol-4-yl)-9-keto-9-methoxy-pelargonic acid Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=CC(=C2O1)OC)C(CCCC(=O)O)(CCCC(=O)OC)C#N

Isomeric SMILES

CC(C)C1=NC2=C(C=CC(=C2O1)OC)C(CCCC(=O)O)(CCCC(=O)OC)C#N

InChI

InChI=1S/C22H28N2O6/c1-14(2)21-24-19-15(9-10-16(28-3)20(19)30-21)22(13-23,11-5-7-17(25)26)12-6-8-18(27)29-4/h9-10,14H,5-8,11-12H2,1-4H3,(H,25,26)