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

Systemtic Name: methyl 3-[3-(2-bromanylbutanoylamino)propanoylamino]benzoate Openeye Name: methyl 3-[3-(2-bromobutanoylamino)propanoylamino]benzoate CAS Name: 3-[[3-[(2-bromo-1-oxobutyl)amino]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(2-bromobutanoylamino)propanoylamino]benzoate Traditional Name: 3-[3-(2-bromobutanoylamino)propanoylamino]benzoic acid methyl ester Formula: C15H19BrN2O4 MolecularWeight: 371.22636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19BrN2O4/c1-3-12(16)14(20)17-8-7-13(19)18-11-6-4-5-10(9-11)15(21)22-2/h4-6,9,12H,3,7-8H2,1-2H3,(H,17,20)(H,18,19)