butyl 3-[3-(3-bromanyl-4-methoxy-phenyl)prop-2-enoylamino]benzoate

Systemtic Name: butyl 3-[3-(3-bromanyl-4-methoxy-phenyl)prop-2-enoylamino]benzoate Openeye Name: butyl 3-[3-(3-bromo-4-methoxy-phenyl)prop-2-enoylamino]benzoate CAS Name: 3-[[3-(3-bromo-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[3-(3-bromo-4-methoxyphenyl)prop-2-enoylamino]benzoate Traditional Name: 3-[[3-(3-bromo-4-methoxy-phenyl)acryloyl]amino]benzoic acid butyl ester Formula: C21H22BrNO4 MolecularWeight: 432.30768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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