hexyl 4-[[(E)-3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: hexyl 4-[[(E)-3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: hexyl 4-[[(E)-3-(5-bromo-2-ethoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(5-bromo-2-ethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[(E)-3-(5-bromo-2-ethoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(5-bromo-2-ethoxy-phenyl)acryloyl]amino]benzoic acid hexyl ester Formula: C24H28BrNO4 MolecularWeight: 474.38742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=C(C=CC(=C2)Br)OCC

InChI

InChI=1S/C24H28BrNO4/c1-3-5-6-7-16-30-24(28)18-8-12-21(13-9-18)26-23(27)15-10-19-17-20(25)11-14-22(19)29-4-2/h8-15,17H,3-7,16H2,1-2H3,(H,26,27)/b15-10+