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

Systemtic Name: ethyl 3-[3-(2-bromanylpentanoylamino)propanoylamino]benzoate Openeye Name: ethyl 3-[3-(2-bromopentanoylamino)propanoylamino]benzoate CAS Name: 3-[[3-[(2-bromo-1-oxopentyl)amino]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(2-bromopentanoylamino)propanoylamino]benzoate Traditional Name: 3-[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=CC(=C1)C(=O)OCC)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H23BrN2O4/c1-3-6-14(18)16(22)19-10-9-15(21)20-13-8-5-7-12(11-13)17(23)24-4-2/h5,7-8,11,14H,3-4,6,9-10H2,1-2H3,(H,19,22)(H,20,21)