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

Systemtic Name: ethyl 3-[3-(2-bromanylbutanoylamino)propanoylamino]benzoate Openeye Name: ethyl 3-[3-(2-bromobutanoylamino)propanoylamino]benzoate CAS Name: 3-[[3-[(2-bromo-1-oxobutyl)amino]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(2-bromobutanoylamino)propanoylamino]benzoate Traditional Name: 3-[3-(2-bromobutanoylamino)propanoylamino]benzoic acid ethyl ester Formula: C16H21BrN2O4 MolecularWeight: 385.25294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrN2O4/c1-3-13(17)15(21)18-9-8-14(20)19-12-7-5-6-11(10-12)16(22)23-4-2/h5-7,10,13H,3-4,8-9H2,1-2H3,(H,18,21)(H,19,20)