pentyl 4-[[4-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethoxy]-4-oxidanylidene-butanoyl]amino]benzoate

Systemtic Name: pentyl 4-[[4-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethoxy]-4-oxidanylidene-butanoyl]amino]benzoate Openeye Name: pentyl 4-[[4-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethoxy]-4-oxo-butanoyl]amino]benzoate CAS Name: 4-[[4-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]-1,4-dioxobutyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[[4-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate Traditional Name: 4-[[4-[2-(4-bromo-3-methyl-anilino)-2-keto-ethoxy]-4-keto-butanoyl]amino]benzoic acid amyl ester Formula: C25H29BrN2O6 MolecularWeight: 533.41156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29BrN2O6/c1-3-4-5-14-33-25(32)18-6-8-19(9-7-18)27-22(29)12-13-24(31)34-16-23(30)28-20-10-11-21(26)17(2)15-20/h6-11,15H,3-5,12-14,16H2,1-2H3,(H,27,29)(H,28,30)