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

Systemtic Name: ethyl 4-[3-(2-bromanylpentanoylamino)propanoylamino]benzoate Openeye Name: ethyl 4-[3-(2-bromopentanoylamino)propanoylamino]benzoate CAS Name: 4-[[3-[(2-bromo-1-oxopentyl)amino]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-bromopentanoylamino)propanoylamino]benzoate Traditional Name: 4-[3-(2-bromopentanoylamino)propanoylamino]benzoic acid ethyl ester Formula: C17H23BrN2O4 MolecularWeight: 399.27952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCCC(=O)NC1=CC=C(C=C1)C(=O)OCC)Br

Isomeric SMILES

CCCC(C(=O)NCCC(=O)NC1=CC=C(C=C1)C(=O)OCC)Br

InChI

InChI=1S/C17H23BrN2O4/c1-3-5-14(18)16(22)19-11-10-15(21)20-13-8-6-12(7-9-13)17(23)24-4-2/h6-9,14H,3-5,10-11H2,1-2H3,(H,19,22)(H,20,21)