5-(2,2-dimethylbutanoylamino)-2-[3-(prop-1-en-2-yloxymethoxy)propoxymethoxy]benzoic acid

Systemtic Name: 5-(2,2-dimethylbutanoylamino)-2-[3-(prop-1-en-2-yloxymethoxy)propoxymethoxy]benzoic acid Openeye Name: 5-(2,2-dimethylbutanoylamino)-2-[3-(isopropenyloxymethoxy)propoxymethoxy]benzoic acid CAS Name: 5-[(2,2-dimethyl-1-oxobutyl)amino]-2-[3-(1-methylethenoxymethoxy)propoxymethoxy]benzoic acid IUPAC Name: 5-(2,2-dimethylbutanoylamino)-2-[3-(prop-1-en-2-yloxymethoxy)propoxymethoxy]benzoic acid Traditional Name: 5-(2,2-dimethylbutanoylamino)-2-[3-(isopropenyloxymethoxy)propoxymethoxy]benzoic acid Formula: C21H31NO7 MolecularWeight: 409.47334

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)NC1=CC(=C(C=C1)OCOCCCOCOC(=C)C)C(=O)O

Isomeric SMILES

CCC(C)(C)C(=O)NC1=CC(=C(C=C1)OCOCCCOCOC(=C)C)C(=O)O

InChI

InChI=1S/C21H31NO7/c1-6-21(4,5)20(25)22-16-8-9-18(17(12-16)19(23)24)29-14-27-11-7-10-26-13-28-15(2)3/h8-9,12H,2,6-7,10-11,13-14H2,1,3-5H3,(H,22,25)(H,23,24)