2-[3-[[2-[(2-bromanyl-4-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethanoyl]amino]phenyl]cyclopropane-1-carboxylic acid

Systemtic Name: 2-[3-[[2-[(2-bromanyl-4-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethanoyl]amino]phenyl]cyclopropane-1-carboxylic acid Openeye Name: 2-[3-[[2-(2-bromo-4-isopropyl-anilino)-2-oxo-acetyl]amino]phenyl]cyclopropanecarboxylic acid CAS Name: 2-[3-[[2-(2-bromo-4-propan-2-ylanilino)-1,2-dioxoethyl]amino]phenyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[3-[[2-(2-bromo-4-propan-2-ylanilino)-2-oxoacetyl]amino]phenyl]cyclopropane-1-carboxylic acid Traditional Name: 2-[3-[[2-(2-bromo-4-isopropyl-anilino)-2-keto-acetyl]amino]phenyl]cyclopropanecarboxylic acid Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)NC(=O)C(=O)NC2=CC=CC(=C2)C3CC3C(=O)O)Br

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)NC(=O)C(=O)NC2=CC=CC(=C2)C3CC3C(=O)O)Br

InChI

InChI=1S/C21H21BrN2O4/c1-11(2)12-6-7-18(17(22)9-12)24-20(26)19(25)23-14-5-3-4-13(8-14)15-10-16(15)21(27)28/h3-9,11,15-16H,10H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)