methyl 4-[[5-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethoxy]-5-oxidanylidene-pentanoyl]amino]benzoate

Systemtic Name: methyl 4-[[5-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethoxy]-5-oxidanylidene-pentanoyl]amino]benzoate Openeye Name: methyl 4-[[5-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethoxy]-5-oxo-pentanoyl]amino]benzoate CAS Name: 4-[[5-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]-1,5-dioxopentyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate Traditional Name: 4-[[5-[2-(4-bromo-3-methyl-anilino)-2-keto-ethoxy]-5-keto-pentanoyl]amino]benzoic acid methyl ester Formula: C22H23BrN2O6 MolecularWeight: 491.33182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)C(=O)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)C(=O)OC)Br

InChI

InChI=1S/C22H23BrN2O6/c1-14-12-17(10-11-18(14)23)25-20(27)13-31-21(28)5-3-4-19(26)24-16-8-6-15(7-9-16)22(29)30-2/h6-12H,3-5,13H2,1-2H3,(H,24,26)(H,25,27)