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

Systemtic Name: propyl 3-[3-(3-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C21H22BrNO5 MolecularWeight: 448.30708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO5/c1-4-10-28-21(25)15-6-5-7-16(13-15)23-19(24)9-8-14-11-17(22)20(27-3)18(12-14)26-2/h5-9,11-13H,4,10H2,1-3H3,(H,23,24)