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

Systemtic Name: [4-[2-[4-[(4-bromanyl-2-ethyl-phenyl)amino]-4-oxidanylidene-butanoyl]oxyethanoyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[2-[4-(4-bromo-2-ethyl-anilino)-4-oxo-butanoyl]oxyacetyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[2-[4-(4-bromo-2-ethylanilino)-1,4-dioxobutoxy]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[4-(4-bromo-2-ethylanilino)-4-oxobutanoyl]oxyacetyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[2-[4-(4-bromo-2-ethyl-anilino)-4-keto-butanoyl]oxyacetyl]phenyl] ester Formula: C27H23Br2NO6 MolecularWeight: 617.28262

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H23Br2NO6/c1-2-17-15-21(29)9-12-23(17)30-25(32)13-14-26(33)35-16-24(31)18-5-10-22(11-6-18)36-27(34)19-3-7-20(28)8-4-19/h3-12,15H,2,13-14,16H2,1H3,(H,30,32)