propyl 3-[3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoylamino]benzoate

Systemtic Name: propyl 3-[3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoylamino]benzoate Openeye Name: propyl 3-[3-(5-bromo-2-ethoxy-phenyl)prop-2-enoylamino]benzoate CAS Name: 3-[[3-(5-bromo-2-ethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid propyl ester IUPAC Name: propyl 3-[3-(5-bromo-2-ethoxyphenyl)prop-2-enoylamino]benzoate Traditional Name: 3-[[3-(5-bromo-2-ethoxy-phenyl)acryloyl]amino]benzoic acid propyl ester Formula: C21H22BrNO4 MolecularWeight: 432.30768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC=C1)NC(=O)C=CC2=C(C=CC(=C2)Br)OCC

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=C1)NC(=O)C=CC2=C(C=CC(=C2)Br)OCC

InChI

InChI=1S/C21H22BrNO4/c1-3-12-27-21(25)16-6-5-7-18(14-16)23-20(24)11-8-15-13-17(22)9-10-19(15)26-4-2/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,24)