methyl 6-[3-[(4-bromophenyl)carbonylamino]propanoylamino]hexanoate

Systemtic Name: methyl 6-[3-[(4-bromophenyl)carbonylamino]propanoylamino]hexanoate Openeye Name: methyl 6-[3-[(4-bromobenzoyl)amino]propanoylamino]hexanoate CAS Name: 6-[[3-[[(4-bromophenyl)-oxomethyl]amino]-1-oxopropyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[3-[(4-bromobenzoyl)amino]propanoylamino]hexanoate Traditional Name: 6-[3-[(4-bromobenzoyl)amino]propanoylamino]hexanoic acid methyl ester Formula: C17H23BrN2O4 MolecularWeight: 399.27952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)CCNC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

COC(=O)CCCCCNC(=O)CCNC(=O)C1=CC=C(C=C1)Br

InChI

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