propyl 4-[[4-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethoxy]-4-oxidanylidene-butanoyl]amino]benzoate

Systemtic Name: propyl 4-[[4-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethoxy]-4-oxidanylidene-butanoyl]amino]benzoate Openeye Name: propyl 4-[[4-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethoxy]-4-oxo-butanoyl]amino]benzoate CAS Name: 4-[[4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]-1,4-dioxobutyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate Traditional Name: 4-[[4-[2-(4-bromo-2-methyl-anilino)-2-keto-ethoxy]-4-keto-butanoyl]amino]benzoic acid propyl ester Formula: C23H25BrN2O6 MolecularWeight: 505.3584

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C23H25BrN2O6/c1-3-12-31-23(30)16-4-7-18(8-5-16)25-20(27)10-11-22(29)32-14-21(28)26-19-9-6-17(24)13-15(19)2/h4-9,13H,3,10-12,14H2,1-2H3,(H,25,27)(H,26,28)