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

Systemtic Name: ethyl 2-[[(Z)-3-bromanyl-4-(4-butoxyphenyl)-4-oxidanylidene-but-2-enoyl]amino]butanoate Openeye Name: ethyl 2-[[(Z)-3-bromo-4-(4-butoxyphenyl)-4-oxo-but-2-enoyl]amino]butanoate CAS Name: 2-[[(Z)-3-bromo-4-(4-butoxyphenyl)-1,4-dioxobut-2-enyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 2-[[(Z)-3-bromo-4-(4-butoxyphenyl)-4-oxobut-2-enoyl]amino]butanoate Traditional Name: 2-[[(Z)-3-bromo-4-(4-butoxyphenyl)-4-keto-but-2-enoyl]amino]butyric acid ethyl ester Formula: C20H26BrNO5 MolecularWeight: 440.32814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)C(=CC(=O)NC(CC)C(=O)OCC)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)/C(=C/C(=O)NC(CC)C(=O)OCC)/Br

InChI

InChI=1S/C20H26BrNO5/c1-4-7-12-27-15-10-8-14(9-11-15)19(24)16(21)13-18(23)22-17(5-2)20(25)26-6-3/h8-11,13,17H,4-7,12H2,1-3H3,(H,22,23)/b16-13-