(4-bromophenyl) 3,5-bis(bromanyl)-2-[4-(prop-2-enoylamino)butoxy]benzoate

Systemtic Name: (4-bromophenyl) 3,5-bis(bromanyl)-2-[4-(prop-2-enoylamino)butoxy]benzoate Openeye Name: (4-bromophenyl) 3,5-dibromo-2-[4-(prop-2-enoylamino)butoxy]benzoate CAS Name: 3,5-dibromo-2-[4-(1-oxoprop-2-enylamino)butoxy]benzoic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 3,5-dibromo-2-[4-(prop-2-enoylamino)butoxy]benzoate Traditional Name: 2-(4-acrylamidobutoxy)-3,5-dibromo-benzoic acid (4-bromophenyl) ester Formula: C20H18Br3NO4 MolecularWeight: 576.07322

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCCCOC1=C(C=C(C=C1C(=O)OC2=CC=C(C=C2)Br)Br)Br

Isomeric SMILES

C=CC(=O)NCCCCOC1=C(C=C(C=C1C(=O)OC2=CC=C(C=C2)Br)Br)Br

InChI

InChI=1S/C20H18Br3NO4/c1-2-18(25)24-9-3-4-10-27-19-16(11-14(22)12-17(19)23)20(26)28-15-7-5-13(21)6-8-15/h2,5-8,11-12H,1,3-4,9-10H2,(H,24,25)