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

Systemtic Name: cyclohexyl 4-[[(E)-3-(3-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C24H26BrNO5 MolecularWeight: 488.37094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)NC2=CC=C(C=C2)C(=O)OC3CCCCC3)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)NC2=CC=C(C=C2)C(=O)OC3CCCCC3)Br)OC

InChI

InChI=1S/C24H26BrNO5/c1-29-21-15-16(14-20(25)23(21)30-2)8-13-22(27)26-18-11-9-17(10-12-18)24(28)31-19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3,(H,26,27)/b13-8+