[2-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(diphenylamino)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(diphenylamino)-4-oxidanylidene-butanoate Openeye Name: [2-(4-bromo-2,3-dimethyl-anilino)-2-oxo-ethyl] 4-oxo-4-(N-phenylanilino)butanoate CAS Name: 4-oxo-4-(N-phenylanilino)butanoic acid [2-(4-bromo-2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2,3-dimethylanilino)-2-oxoethyl] 4-oxo-4-(N-phenylanilino)butanoate Traditional Name: 4-keto-4-(N-phenylanilino)butyric acid [2-(4-bromo-2,3-dimethyl-anilino)-2-keto-ethyl] ester Formula: C26H25BrN2O4 MolecularWeight: 509.3917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)Br)NC(=O)COC(=O)CCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1C)Br)NC(=O)COC(=O)CCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H25BrN2O4/c1-18-19(2)23(14-13-22(18)27)28-24(30)17-33-26(32)16-15-25(31)29(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14H,15-17H2,1-2H3,(H,28,30)