[4-[2-[5-[(4-bromanyl-2-ethyl-phenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[2-[5-[(4-bromanyl-2-ethyl-phenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[2-[5-(4-bromo-2-ethyl-anilino)-5-oxo-pentanoyl]oxyacetyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[2-[5-(4-bromo-2-ethylanilino)-1,5-dioxopentoxy]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[5-(4-bromo-2-ethylanilino)-5-oxopentanoyl]oxyacetyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[2-[5-(4-bromo-2-ethyl-anilino)-5-keto-pentanoyl]oxyacetyl]phenyl] ester Formula: C28H25Br2NO6 MolecularWeight: 631.3092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C28H25Br2NO6/c1-2-18-16-22(30)12-15-24(18)31-26(33)4-3-5-27(34)36-17-25(32)19-8-13-23(14-9-19)37-28(35)20-6-10-21(29)11-7-20/h6-16H,2-5,17H2,1H3,(H,31,33)