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

Systemtic Name: 3-[[3-[2-[(4-bromophenyl)methoxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-[2-[(4-bromophenyl)methoxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-[2-(4-bromobenzyl)oxy-3-methoxy-phenyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C25H19BrN2O5 MolecularWeight: 507.33276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=C(C=C2)Br)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=C(C=C2)Br)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C25H19BrN2O5/c1-32-22-7-3-4-17(23(22)33-15-16-8-10-20(26)11-9-16)12-19(14-27)24(29)28-21-6-2-5-18(13-21)25(30)31/h2-13H,15H2,1H3,(H,28,29)(H,30,31)