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

Systemtic Name: hexyl 4-[[(E)-3-(3-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: hexyl 4-[[(E)-3-(3-bromo-4,5-dimethoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(3-bromo-4,5-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[(E)-3-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(3-bromo-4,5-dimethoxy-phenyl)acryloyl]amino]benzoic acid hexyl ester Formula: C24H28BrNO5 MolecularWeight: 490.38682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28BrNO5/c1-4-5-6-7-14-31-24(28)18-9-11-19(12-10-18)26-22(27)13-8-17-15-20(25)23(30-3)21(16-17)29-2/h8-13,15-16H,4-7,14H2,1-3H3,(H,26,27)/b13-8+