butyl 3-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: butyl 3-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: butyl 3-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 3-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 3-[[(E)-3-(5-bromo-2-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=C(C=CC(=C2)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO4/c1-3-4-12-27-21(25)16-6-5-7-18(14-16)23-20(24)11-8-15-13-17(22)9-10-19(15)26-2/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,24)/b11-8+