[4-[(2S)-2-azanyl-3-oxidanylidene-3-(2-pyridin-2-ylethylamino)propyl]phenyl] (2-bromophenyl)methyl carbonate

Systemtic Name: [4-[(2S)-2-azanyl-3-oxidanylidene-3-(2-pyridin-2-ylethylamino)propyl]phenyl] (2-bromophenyl)methyl carbonate Openeye Name: [4-[(2S)-2-amino-3-oxo-3-[2-(2-pyridyl)ethylamino]propyl]phenyl] (2-bromophenyl)methyl carbonate CAS Name: carbonic acid [4-[(2S)-2-amino-3-oxo-3-[2-(2-pyridinyl)ethylamino]propyl]phenyl] (2-bromophenyl)methyl ester IUPAC Name: [4-[(2S)-2-amino-3-oxo-3-(2-pyridin-2-ylethylamino)propyl]phenyl] (2-bromophenyl)methyl carbonate Traditional Name: carbonic acid [4-[(2S)-2-amino-3-keto-3-[2-(2-pyridyl)ethylamino]propyl]phenyl] (2-bromobenzyl) ester Formula: C24H24BrN3O4 MolecularWeight: 498.36906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)OC2=CC=C(C=C2)CC(C(=O)NCCC3=CC=CC=N3)N)Br

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)OC2=CC=C(C=C2)C[C@@H](C(=O)NCCC3=CC=CC=N3)N)Br

InChI

InChI=1S/C24H24BrN3O4/c25-21-7-2-1-5-18(21)16-31-24(30)32-20-10-8-17(9-11-20)15-22(26)23(29)28-14-12-19-6-3-4-13-27-19/h1-11,13,22H,12,14-16,26H2,(H,28,29)/t22-/m0/s1