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5-acetamido-2-[7-(prop-1-en-2-yloxymethoxy)heptoxymethoxy]benzoic acid

5-acetamido-2-[7-(prop-1-en-2-yloxymethoxy)heptoxymethoxy]benzoic acid

Systemtic Name:5-acetamido-2-[7-(prop-1-en-2-yloxymethoxy)heptoxymethoxy]benzoic acid
Openeye Name:5-acetamido-2-[7-(isopropenyloxymethoxy)heptoxymethoxy]benzoic acid
CAS Name:5-acetamido-2-[7-(1-methylethenoxymethoxy)heptoxymethoxy]benzoic acid
IUPAC Name:5-acetamido-2-[7-(prop-1-en-2-yloxymethoxy)heptoxymethoxy]benzoic acid
Traditional Name:5-acetamido-2-[7-(isopropenyloxymethoxy)heptoxymethoxy]benzoic acid
Formula: C21H31NO7
MolecularWeight: 409.47334
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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)OCOCCCCCCCOCOC1=C(C=C(C=C1)NC(=O)C)C(=O)O


Isomeric SMILES

CC(=C)OCOCCCCCCCOCOC1=C(C=C(C=C1)NC(=O)C)C(=O)O


InChI

InChI=1S/C21H31NO7/c1-16(2)28-14-26-11-7-5-4-6-8-12-27-15-29-20-10-9-18(22-17(3)23)13-19(20)21(24)25/h9-10,13H,1,4-8,11-12,14-15H2,2-3H3,(H,22,23)(H,24,25)


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