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4-[5-(cyanomethyl)-2,3-dimethoxy-phenoxy]benzoic acid

4-[5-(cyanomethyl)-2,3-dimethoxy-phenoxy]benzoic acid

Systemtic Name:4-[5-(cyanomethyl)-2,3-dimethoxy-phenoxy]benzoic acid
Openeye Name:4-[5-(cyanomethyl)-2,3-dimethoxy-phenoxy]benzoic acid
CAS Name:4-[5-(cyanomethyl)-2,3-dimethoxyphenoxy]benzoic acid
IUPAC Name:4-[5-(cyanomethyl)-2,3-dimethoxyphenoxy]benzoic acid
Traditional Name:4-[5-(cyanomethyl)-2,3-dimethoxy-phenoxy]benzoic acid
Formula: C17H15NO5
MolecularWeight: 313.3047
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC2=CC=C(C=C2)C(=O)O)CC#N


Isomeric SMILES

COC1=CC(=CC(=C1OC)OC2=CC=C(C=C2)C(=O)O)CC#N


InChI

InChI=1S/C17H15NO5/c1-21-14-9-11(7-8-18)10-15(16(14)22-2)23-13-5-3-12(4-6-13)17(19)20/h3-6,9-10H,7H2,1-2H3,(H,19,20)


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