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

Systemtic Name: [4-[(2S)-2-azanyl-3-oxidanylidene-3-(pentylamino)propyl]phenyl] (2-bromophenyl)methyl carbonate Openeye Name: [4-[(2S)-2-amino-3-oxo-3-(pentylamino)propyl]phenyl] (2-bromophenyl)methyl carbonate CAS Name: carbonic acid [4-[(2S)-2-amino-3-oxo-3-(pentylamino)propyl]phenyl] (2-bromophenyl)methyl ester IUPAC Name: [4-[(2S)-2-amino-3-oxo-3-(pentylamino)propyl]phenyl] (2-bromophenyl)methyl carbonate Traditional Name: carbonic acid [4-[(2S)-2-amino-3-(amylamino)-3-keto-propyl]phenyl] (2-bromobenzyl) ester Formula: C22H27BrN2O4 MolecularWeight: 463.36478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O4/c1-2-3-6-13-25-21(26)20(24)14-16-9-11-18(12-10-16)29-22(27)28-15-17-7-4-5-8-19(17)23/h4-5,7-12,20H,2-3,6,13-15,24H2,1H3,(H,25,26)/t20-/m0/s1