butyl 4-[3-(2-bromanylpentanoylamino)propanoylamino]benzoate

Systemtic Name: butyl 4-[3-(2-bromanylpentanoylamino)propanoylamino]benzoate Openeye Name: butyl 4-[3-(2-bromopentanoylamino)propanoylamino]benzoate CAS Name: 4-[[3-[(2-bromo-1-oxopentyl)amino]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(2-bromopentanoylamino)propanoylamino]benzoate Traditional Name: 4-[3-(2-bromopentanoylamino)propanoylamino]benzoic acid butyl ester Formula: C19H27BrN2O4 MolecularWeight: 427.33268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)C(CCC)Br

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)C(CCC)Br

InChI

InChI=1S/C19H27BrN2O4/c1-3-5-13-26-19(25)14-7-9-15(10-8-14)22-17(23)11-12-21-18(24)16(20)6-4-2/h7-10,16H,3-6,11-13H2,1-2H3,(H,21,24)(H,22,23)