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

Systemtic Name: [4-[2-[4-[(4-methoxyphenyl)amino]-4-oxidanylidene-butanoyl]oxyethanoyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[2-[4-(4-methoxyanilino)-4-oxo-butanoyl]oxyacetyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[2-[4-(4-methoxyanilino)-1,4-dioxobutoxy]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[4-(4-methoxyanilino)-4-oxobutanoyl]oxyacetyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[2-[4-keto-4-(p-anisidino)butanoyl]oxyacetyl]phenyl] ester Formula: C26H22BrNO7 MolecularWeight: 540.35938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C26H22BrNO7/c1-33-21-12-8-20(9-13-21)28-24(30)14-15-25(31)34-16-23(29)17-4-10-22(11-5-17)35-26(32)18-2-6-19(27)7-3-18/h2-13H,14-16H2,1H3,(H,28,30)