[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-(2,6-diisopropylanilino)-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(2,6-diisopropylanilino)-2-keto-ethyl] ester Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H24BrNO3/c1-13(2)17-6-5-7-18(14(3)4)20(17)23-19(24)12-26-21(25)15-8-10-16(22)11-9-15/h5-11,13-14H,12H2,1-4H3,(H,23,24)