2-acetyloxy-4-[5-(4-cyanophenoxy)pentoxy]benzoic acid

Systemtic Name: 2-acetyloxy-4-[5-(4-cyanophenoxy)pentoxy]benzoic acid Openeye Name: 2-acetoxy-4-[5-(4-cyanophenoxy)pentoxy]benzoic acid CAS Name: 2-acetyloxy-4-[5-(4-cyanophenoxy)pentoxy]benzoic acid IUPAC Name: 2-acetyloxy-4-[5-(4-cyanophenoxy)pentoxy]benzoic acid Traditional Name: 2-acetoxy-4-[5-(4-cyanophenoxy)pentoxy]benzoic acid Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC(=C1)OCCCCCOC2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

CC(=O)OC1=C(C=CC(=C1)OCCCCCOC2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C21H21NO6/c1-15(23)28-20-13-18(9-10-19(20)21(24)25)27-12-4-2-3-11-26-17-7-5-16(14-22)6-8-17/h5-10,13H,2-4,11-12H2,1H3,(H,24,25)