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

Systemtic Name: methyl 3-[3-(2-bromanylpentanoylamino)propanoylamino]benzoate Openeye Name: methyl 3-[3-(2-bromopentanoylamino)propanoylamino]benzoate CAS Name: 3-[[3-[(2-bromo-1-oxopentyl)amino]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(2-bromopentanoylamino)propanoylamino]benzoate Traditional Name: 3-[3-(2-bromopentanoylamino)propanoylamino]benzoic acid methyl ester Formula: C16H21BrN2O4 MolecularWeight: 385.25294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrN2O4/c1-3-5-13(17)15(21)18-9-8-14(20)19-12-7-4-6-11(10-12)16(22)23-2/h4,6-7,10,13H,3,5,8-9H2,1-2H3,(H,18,21)(H,19,20)