4-[4-cyano-3-(oxiran-2-ylmethoxy)phenyl]benzoic acid

Systemtic Name: 4-[4-cyano-3-(oxiran-2-ylmethoxy)phenyl]benzoic acid Openeye Name: 4-[4-cyano-3-(oxiran-2-ylmethoxy)phenyl]benzoic acid CAS Name: 4-[4-cyano-3-(2-oxiranylmethoxy)phenyl]benzoic acid IUPAC Name: 4-[4-cyano-3-(oxiran-2-ylmethoxy)phenyl]benzoic acid Traditional Name: 4-(4-cyano-3-glycidoxy-phenyl)benzoic acid Formula: C17H13NO4 MolecularWeight: 295.28942

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Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)COC2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

C1C(O1)COC2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)C#N

InChI

InChI=1S/C17H13NO4/c18-8-14-6-5-13(7-16(14)22-10-15-9-21-15)11-1-3-12(4-2-11)17(19)20/h1-7,15H,9-10H2,(H,19,20)