3-[[3-[3-bromanyl-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-[3-bromanyl-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-[3-bromo-5-ethoxy-4-(m-tolylmethoxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-[3-bromo-5-ethoxy-4-(3-methylbenzyl)oxy-phenyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C27H23BrN2O5 MolecularWeight: 535.38592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)Br)OCC3=CC=CC(=C3)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)Br)OCC3=CC=CC(=C3)C

InChI

InChI=1S/C27H23BrN2O5/c1-3-34-24-13-19(12-23(28)25(24)35-16-18-7-4-6-17(2)10-18)11-21(15-29)26(31)30-22-9-5-8-20(14-22)27(32)33/h4-14H,3,16H2,1-2H3,(H,30,31)(H,32,33)