butyl 3-[3-(3-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoylamino]benzoate

Systemtic Name: butyl 3-[3-(3-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoylamino]benzoate Openeye Name: butyl 3-[3-(3-bromo-4,5-dimethoxy-phenyl)prop-2-enoylamino]benzoate CAS Name: 3-[[3-(3-bromo-4,5-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[3-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoylamino]benzoate Traditional Name: 3-[[3-(3-bromo-4,5-dimethoxy-phenyl)acryloyl]amino]benzoic acid butyl ester Formula: C22H24BrNO5 MolecularWeight: 462.33366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)C=CC2=CC(=C(C(=C2)Br)OC)OC

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)C=CC2=CC(=C(C(=C2)Br)OC)OC

InChI

InChI=1S/C22H24BrNO5/c1-4-5-11-29-22(26)16-7-6-8-17(14-16)24-20(25)10-9-15-12-18(23)21(28-3)19(13-15)27-2/h6-10,12-14H,4-5,11H2,1-3H3,(H,24,25)