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

Systemtic Name: butyl 3-[3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 3-[3-(5-bromo-2-ethoxyphenyl)prop-2-enoylamino]benzoate Traditional Name: 3-[[3-(5-bromo-2-ethoxy-phenyl)acryloyl]amino]benzoic acid butyl ester Formula: C22H24BrNO4 MolecularWeight: 446.33426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrNO4/c1-3-5-13-28-22(26)17-7-6-8-19(15-17)24-21(25)12-9-16-14-18(23)10-11-20(16)27-4-2/h6-12,14-15H,3-5,13H2,1-2H3,(H,24,25)