3-[[3-[2-[(4-carboxyphenyl)methoxy]phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-[2-[(4-carboxyphenyl)methoxy]phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-[2-[(4-carboxyphenyl)methoxy]phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-[2-[(4-carboxyphenyl)methoxy]phenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-[2-[(4-carboxyphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-[2-(4-carboxybenzyl)oxyphenyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C25H18N2O6 MolecularWeight: 442.42022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H18N2O6/c26-14-20(23(28)27-21-6-3-5-19(13-21)25(31)32)12-18-4-1-2-7-22(18)33-15-16-8-10-17(11-9-16)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)(H,31,32)