5-(2,2-dimethylbutanimidoyloxy)-2-[3-(propan-2-yloxymethoxy)propoxymethoxy]benzoic acid

Systemtic Name: 5-(2,2-dimethylbutanimidoyloxy)-2-[3-(propan-2-yloxymethoxy)propoxymethoxy]benzoic acid Openeye Name: 5-(2,2-dimethylbutanimidoyloxy)-2-[3-(isopropoxymethoxy)propoxymethoxy]benzoic acid CAS Name: 5-(1-imino-2,2-dimethylbutoxy)-2-[3-(propan-2-yloxymethoxy)propoxymethoxy]benzoic acid IUPAC Name: 5-(2,2-dimethylbutanimidoyloxy)-2-[3-(propan-2-yloxymethoxy)propoxymethoxy]benzoic acid Traditional Name: 5-(2,2-dimethylbutanimidoyloxy)-2-[3-(isopropoxymethoxy)propoxymethoxy]benzoic acid Formula: C21H33NO7 MolecularWeight: 411.48922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=N)OC1=CC(=C(C=C1)OCOCCCOCOC(C)C)C(=O)O

Isomeric SMILES

CCC(C)(C)C(=N)OC1=CC(=C(C=C1)OCOCCCOCOC(C)C)C(=O)O

InChI

InChI=1S/C21H33NO7/c1-6-21(4,5)20(22)29-16-8-9-18(17(12-16)19(23)24)28-14-26-11-7-10-25-13-27-15(2)3/h8-9,12,15,22H,6-7,10-11,13-14H2,1-5H3,(H,23,24)