ethyl 1-[[(Z)-3-bromanyl-4-(4-butoxyphenyl)-4-oxidanylidene-but-2-enoyl]amino]cyclohexane-1-carboxylate

Systemtic Name: ethyl 1-[[(Z)-3-bromanyl-4-(4-butoxyphenyl)-4-oxidanylidene-but-2-enoyl]amino]cyclohexane-1-carboxylate Openeye Name: ethyl 1-[[(Z)-3-bromo-4-(4-butoxyphenyl)-4-oxo-but-2-enoyl]amino]cyclohexanecarboxylate CAS Name: 1-[[(Z)-3-bromo-4-(4-butoxyphenyl)-1,4-dioxobut-2-enyl]amino]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[(Z)-3-bromo-4-(4-butoxyphenyl)-4-oxobut-2-enoyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[(Z)-3-bromo-4-(4-butoxyphenyl)-4-keto-but-2-enoyl]amino]cyclohexanecarboxylic acid ethyl ester Formula: C23H30BrNO5 MolecularWeight: 480.392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)C(=CC(=O)NC2(CCCCC2)C(=O)OCC)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)/C(=C/C(=O)NC2(CCCCC2)C(=O)OCC)/Br

InChI

InChI=1S/C23H30BrNO5/c1-3-5-15-30-18-11-9-17(10-12-18)21(27)19(24)16-20(26)25-23(22(28)29-4-2)13-7-6-8-14-23/h9-12,16H,3-8,13-15H2,1-2H3,(H,25,26)/b19-16-