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

Systemtic Name: [4-[(2S)-2-azanyl-3-oxidanylidene-3-(pyridin-4-ylmethylamino)propyl]phenyl] (2-bromophenyl)methyl carbonate Openeye Name: [4-[(2S)-2-amino-3-oxo-3-(4-pyridylmethylamino)propyl]phenyl] (2-bromophenyl)methyl carbonate CAS Name: carbonic acid [4-[(2S)-2-amino-3-oxo-3-(pyridin-4-ylmethylamino)propyl]phenyl] (2-bromophenyl)methyl ester IUPAC Name: [4-[(2S)-2-amino-3-oxo-3-(pyridin-4-ylmethylamino)propyl]phenyl] (2-bromophenyl)methyl carbonate Traditional Name: carbonic acid [4-[(2S)-2-amino-3-keto-3-(4-pyridylmethylamino)propyl]phenyl] (2-bromobenzyl) ester Formula: C23H22BrN3O4 MolecularWeight: 484.34248

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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)NCC3=CC=NC=C3)N)Br

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)OC2=CC=C(C=C2)C[C@@H](C(=O)NCC3=CC=NC=C3)N)Br

InChI

InChI=1S/C23H22BrN3O4/c24-20-4-2-1-3-18(20)15-30-23(29)31-19-7-5-16(6-8-19)13-21(25)22(28)27-14-17-9-11-26-12-10-17/h1-12,21H,13-15,25H2,(H,27,28)/t21-/m0/s1