2-[[(E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(4-benzyloxyphenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(4-benzoxyphenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C24H18N2O4 MolecularWeight: 398.41072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C24H18N2O4/c25-15-19(23(27)26-22-9-5-4-8-21(22)24(28)29)14-17-10-12-20(13-11-17)30-16-18-6-2-1-3-7-18/h1-14H,16H2,(H,26,27)(H,28,29)/b19-14+