3-[[4-[2-(4-carboxyphenyl)-2-cyano-ethenyl]phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[4-[2-(4-carboxyphenyl)-2-cyano-ethenyl]phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[2-(4-carboxyphenyl)-2-cyano-vinyl]phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[2-(4-carboxyphenyl)-2-cyanoethenyl]phenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[2-(4-carboxyphenyl)-2-cyanoethenyl]phenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[2-(4-carboxyphenyl)-2-cyano-vinyl]phenoxy]methyl]benzoic acid Formula: C24H17NO5 MolecularWeight: 399.39548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC2=CC=C(C=C2)C=C(C#N)C3=CC=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)COC2=CC=C(C=C2)C=C(C#N)C3=CC=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C24H17NO5/c25-14-21(18-6-8-19(9-7-18)23(26)27)12-16-4-10-22(11-5-16)30-15-17-2-1-3-20(13-17)24(28)29/h1-13H,15H2,(H,26,27)(H,28,29)