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

Systemtic Name: [4-[(2S)-2-azanyl-3-oxidanylidene-3-(pyridin-4-ylamino)propyl]phenyl] (2-bromophenyl)methyl carbonate Openeye Name: [4-[(2S)-2-amino-3-oxo-3-(4-pyridylamino)propyl]phenyl] (2-bromophenyl)methyl carbonate CAS Name: carbonic acid [4-[(2S)-2-amino-3-oxo-3-(pyridin-4-ylamino)propyl]phenyl] (2-bromophenyl)methyl ester IUPAC Name: [4-[(2S)-2-amino-3-oxo-3-(pyridin-4-ylamino)propyl]phenyl] (2-bromophenyl)methyl carbonate Traditional Name: carbonic acid [4-[(2S)-2-amino-3-keto-3-(4-pyridylamino)propyl]phenyl] (2-bromobenzyl) ester Formula: C22H20BrN3O4 MolecularWeight: 470.3159

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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)NC3=CC=NC=C3)N)Br

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)OC2=CC=C(C=C2)C[C@@H](C(=O)NC3=CC=NC=C3)N)Br

InChI

InChI=1S/C22H20BrN3O4/c23-19-4-2-1-3-16(19)14-29-22(28)30-18-7-5-15(6-8-18)13-20(24)21(27)26-17-9-11-25-12-10-17/h1-12,20H,13-14,24H2,(H,25,26,27)/t20-/m0/s1