4-[[5-acetamido-2-[3-(prop-1-en-2-yloxymethoxy)propoxymethoxy]phenoxy]methoxy]butanoic acid

Systemtic Name: 4-[[5-acetamido-2-[3-(prop-1-en-2-yloxymethoxy)propoxymethoxy]phenoxy]methoxy]butanoic acid Openeye Name: 4-[[5-acetamido-2-[3-(isopropenyloxymethoxy)propoxymethoxy]phenoxy]methoxy]butanoic acid CAS Name: 4-[[5-acetamido-2-[3-(1-methylethenoxymethoxy)propoxymethoxy]phenoxy]methoxy]butanoic acid IUPAC Name: 4-[[5-acetamido-2-[3-(prop-1-en-2-yloxymethoxy)propoxymethoxy]phenoxy]methoxy]butanoic acid Traditional Name: 4-[[5-acetamido-2-[3-(isopropenyloxymethoxy)propoxymethoxy]phenoxy]methoxy]butyric acid Formula: C21H31NO9 MolecularWeight: 441.47214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)OCOCCCOCOC1=C(C=C(C=C1)NC(=O)C)OCOCCCC(=O)O

Isomeric SMILES

CC(=C)OCOCCCOCOC1=C(C=C(C=C1)NC(=O)C)OCOCCCC(=O)O

InChI

InChI=1S/C21H31NO9/c1-16(2)29-13-27-10-5-11-28-14-30-19-8-7-18(22-17(3)23)12-20(19)31-15-26-9-4-6-21(24)25/h7-8,12H,1,4-6,9-11,13-15H2,2-3H3,(H,22,23)(H,24,25)