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

Systemtic Name: ethyl 1-[[(Z)-3-bromanyl-4-(4-methoxyphenyl)-4-oxidanylidene-but-2-enoyl]amino]cyclohexane-1-carboxylate Openeye Name: ethyl 1-[[(Z)-3-bromo-4-(4-methoxyphenyl)-4-oxo-but-2-enoyl]amino]cyclohexanecarboxylate CAS Name: 1-[[(Z)-3-bromo-4-(4-methoxyphenyl)-1,4-dioxobut-2-enyl]amino]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[(Z)-3-bromo-4-(4-methoxyphenyl)-4-oxobut-2-enoyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[(Z)-3-bromo-4-keto-4-(4-methoxyphenyl)but-2-enoyl]amino]cyclohexanecarboxylic acid ethyl ester Formula: C20H24BrNO5 MolecularWeight: 438.31226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCCC1)NC(=O)C=C(C(=O)C2=CC=C(C=C2)OC)Br

Isomeric SMILES

CCOC(=O)C1(CCCCC1)NC(=O)/C=C(/C(=O)C2=CC=C(C=C2)OC)\Br

InChI

InChI=1S/C20H24BrNO5/c1-3-27-19(25)20(11-5-4-6-12-20)22-17(23)13-16(21)18(24)14-7-9-15(26-2)10-8-14/h7-10,13H,3-6,11-12H2,1-2H3,(H,22,23)/b16-13-