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

Systemtic Name: [4-[(2S)-2-azanyl-3-(hexylamino)-3-oxidanylidene-propyl]phenyl] (2-bromophenyl)methyl carbonate Openeye Name: [4-[(2S)-2-amino-3-(hexylamino)-3-oxo-propyl]phenyl] (2-bromophenyl)methyl carbonate CAS Name: carbonic acid [4-[(2S)-2-amino-3-(hexylamino)-3-oxopropyl]phenyl] (2-bromophenyl)methyl ester IUPAC Name: [4-[(2S)-2-amino-3-(hexylamino)-3-oxopropyl]phenyl] (2-bromophenyl)methyl carbonate Traditional Name: carbonic acid [4-[(2S)-2-amino-3-(hexylamino)-3-keto-propyl]phenyl] (2-bromobenzyl) ester Formula: C23H29BrN2O4 MolecularWeight: 477.39136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29BrN2O4/c1-2-3-4-7-14-26-22(27)21(25)15-17-10-12-19(13-11-17)30-23(28)29-16-18-8-5-6-9-20(18)24/h5-6,8-13,21H,2-4,7,14-16,25H2,1H3,(H,26,27)/t21-/m0/s1