2-[[(2-bromanylcyclopropyl)-[2-methyl-5-(phenylmethoxycarbonylamino)phenyl]amino]methylidene]propanedioic acid

Systemtic Name: 2-[[(2-bromanylcyclopropyl)-[2-methyl-5-(phenylmethoxycarbonylamino)phenyl]amino]methylidene]propanedioic acid Openeye Name: 2-[[5-(benzyloxycarbonylamino)-N-(2-bromocyclopropyl)-2-methyl-anilino]methylene]propanedioic acid CAS Name: 2-[[N-(2-bromocyclopropyl)-2-methyl-5-(phenylmethoxycarbonylamino)anilino]methylidene]propanedioic acid IUPAC Name: 2-[[N-(2-bromocyclopropyl)-2-methyl-5-(phenylmethoxycarbonylamino)anilino]methylidene]propanedioic acid Traditional Name: 2-[[5-(benzyloxycarbonylamino)-N-(2-bromocyclopropyl)-2-methyl-anilino]methylene]malonic acid Formula: C22H21BrN2O6 MolecularWeight: 489.31594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)OCC2=CC=CC=C2)N(C=C(C(=O)O)C(=O)O)C3CC3Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)OCC2=CC=CC=C2)N(C=C(C(=O)O)C(=O)O)C3CC3Br

InChI

InChI=1S/C22H21BrN2O6/c1-13-7-8-15(24-22(30)31-12-14-5-3-2-4-6-14)9-18(13)25(19-10-17(19)23)11-16(20(26)27)21(28)29/h2-9,11,17,19H,10,12H2,1H3,(H,24,30)(H,26,27)(H,28,29)