[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[(4-phenoxyphenyl)amino]butanoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[(4-phenoxyphenyl)amino]butanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 4-oxo-4-(4-phenoxyanilino)butanoate CAS Name: 4-oxo-4-(4-phenoxyanilino)butanoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 4-oxo-4-(4-phenoxyanilino)butanoate Traditional Name: 4-keto-4-(4-phenoxyanilino)butyric acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C25H23BrN2O5 MolecularWeight: 511.36452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)Br

InChI

InChI=1S/C25H23BrN2O5/c1-17-15-19(9-12-22(17)26)28-24(30)16-32-25(31)14-13-23(29)27-18-7-10-21(11-8-18)33-20-5-3-2-4-6-20/h2-12,15H,13-14,16H2,1H3,(H,27,29)(H,28,30)