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

Systemtic Name: 4-[[4-[2-(4-carboxyphenyl)-2-cyano-ethenyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[2-(4-carboxyphenyl)-2-cyano-vinyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[2-(4-carboxyphenyl)-2-cyanoethenyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[2-(4-carboxyphenyl)-2-cyanoethenyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[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=C1COC2=CC=C(C=C2)C=C(C#N)C3=CC=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1COC2=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(18-7-9-20(10-8-18)24(28)29)13-16-3-11-22(12-4-16)30-15-17-1-5-19(6-2-17)23(26)27/h1-13H,15H2,(H,26,27)(H,28,29)