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

Systemtic Name: [4-[(2S)-2-azanyl-3-(nonylamino)-3-oxidanylidene-propyl]phenyl] (2-bromophenyl)methyl carbonate Openeye Name: [4-[(2S)-2-amino-3-(nonylamino)-3-oxo-propyl]phenyl] (2-bromophenyl)methyl carbonate CAS Name: carbonic acid [4-[(2S)-2-amino-3-(nonylamino)-3-oxopropyl]phenyl] (2-bromophenyl)methyl ester IUPAC Name: [4-[(2S)-2-amino-3-(nonylamino)-3-oxopropyl]phenyl] (2-bromophenyl)methyl carbonate Traditional Name: carbonic acid [4-[(2S)-2-amino-3-keto-3-(nonylamino)propyl]phenyl] (2-bromobenzyl) ester Formula: C26H35BrN2O4 MolecularWeight: 519.4711

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35BrN2O4/c1-2-3-4-5-6-7-10-17-29-25(30)24(28)18-20-13-15-22(16-14-20)33-26(31)32-19-21-11-8-9-12-23(21)27/h8-9,11-16,24H,2-7,10,17-19,28H2,1H3,(H,29,30)/t24-/m0/s1