2-[[4-(16-bromanylhexadecylamino)phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-(16-bromanylhexadecylamino)phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-(16-bromohexadecylamino)benzoyl]amino]acetic acid CAS Name: 2-[[[4-(16-bromohexadecylamino)phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-(16-bromohexadecylamino)benzoyl]amino]acetic acid Traditional Name: 2-[[4-(16-bromohexadecylamino)benzoyl]amino]acetic acid Formula: C25H41BrN2O3 MolecularWeight: 497.50864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCC(=O)O)NCCCCCCCCCCCCCCCCBr

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCC(=O)O)NCCCCCCCCCCCCCCCCBr

InChI

InChI=1S/C25H41BrN2O3/c26-19-13-11-9-7-5-3-1-2-4-6-8-10-12-14-20-27-23-17-15-22(16-18-23)25(31)28-21-24(29)30/h15-18,27H,1-14,19-21H2,(H,28,31)(H,29,30)