ethyl 4-[2-[5-[(4-bromophenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[5-[(4-bromophenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[5-(4-bromoanilino)-5-oxo-pentanoyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[5-(4-bromoanilino)-1,5-dioxopentoxy]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[5-(4-bromoanilino)-5-oxopentanoyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[5-(4-bromoanilino)-5-keto-pentanoyl]oxyacetyl]amino]benzoic acid ethyl ester Formula: C22H23BrN2O6 MolecularWeight: 491.33182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C22H23BrN2O6/c1-2-30-22(29)15-6-10-17(11-7-15)25-20(27)14-31-21(28)5-3-4-19(26)24-18-12-8-16(23)9-13-18/h6-13H,2-5,14H2,1H3,(H,24,26)(H,25,27)