[4-[2-[5-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoyl]phenyl] benzoate

Systemtic Name: [4-[2-[5-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoyl]phenyl] benzoate Openeye Name: [4-[2-[5-(4-bromo-2,3-dimethyl-anilino)-5-oxo-pentanoyl]oxyacetyl]phenyl] benzoate CAS Name: benzoic acid [4-[2-[5-(4-bromo-2,3-dimethylanilino)-1,5-dioxopentoxy]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[5-(4-bromo-2,3-dimethylanilino)-5-oxopentanoyl]oxyacetyl]phenyl] benzoate Traditional Name: benzoic acid [4-[2-[5-(4-bromo-2,3-dimethyl-anilino)-5-keto-pentanoyl]oxyacetyl]phenyl] ester Formula: C28H26BrNO6 MolecularWeight: 552.41314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)Br)NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1C)Br)NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H26BrNO6/c1-18-19(2)24(16-15-23(18)29)30-26(32)9-6-10-27(33)35-17-25(31)20-11-13-22(14-12-20)36-28(34)21-7-4-3-5-8-21/h3-5,7-8,11-16H,6,9-10,17H2,1-2H3,(H,30,32)