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

Systemtic Name: [4-[(2S)-2-azanyl-3-(octylamino)-3-oxidanylidene-propyl]phenyl] (2-bromophenyl)methyl carbonate Openeye Name: [4-[(2S)-2-amino-3-(octylamino)-3-oxo-propyl]phenyl] (2-bromophenyl)methyl carbonate CAS Name: carbonic acid [4-[(2S)-2-amino-3-(octylamino)-3-oxopropyl]phenyl] (2-bromophenyl)methyl ester IUPAC Name: [4-[(2S)-2-amino-3-(octylamino)-3-oxopropyl]phenyl] (2-bromophenyl)methyl carbonate Traditional Name: carbonic acid [4-[(2S)-2-amino-3-keto-3-(octylamino)propyl]phenyl] (2-bromobenzyl) ester Formula: C25H33BrN2O4 MolecularWeight: 505.44452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C(CC1=CC=C(C=C1)OC(=O)OCC2=CC=CC=C2Br)N

Isomeric SMILES

CCCCCCCCNC(=O)[C@H](CC1=CC=C(C=C1)OC(=O)OCC2=CC=CC=C2Br)N

InChI

InChI=1S/C25H33BrN2O4/c1-2-3-4-5-6-9-16-28-24(29)23(27)17-19-12-14-21(15-13-19)32-25(30)31-18-20-10-7-8-11-22(20)26/h7-8,10-15,23H,2-6,9,16-18,27H2,1H3,(H,28,29)/t23-/m0/s1