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

Systemtic Name: propyl 4-[[5-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethoxy]-5-oxidanylidene-pentanoyl]amino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C24H27BrN2O6 MolecularWeight: 519.38498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27BrN2O6/c1-3-13-32-24(31)17-7-9-18(10-8-17)26-21(28)5-4-6-23(30)33-15-22(29)27-19-11-12-20(25)16(2)14-19/h7-12,14H,3-6,13,15H2,1-2H3,(H,26,28)(H,27,29)