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

Systemtic Name: [4-[(2S)-2-azanyl-3-(heptylamino)-3-oxidanylidene-propyl]phenyl] (2-bromophenyl)methyl carbonate Openeye Name: [4-[(2S)-2-amino-3-(heptylamino)-3-oxo-propyl]phenyl] (2-bromophenyl)methyl carbonate CAS Name: carbonic acid [4-[(2S)-2-amino-3-(heptylamino)-3-oxopropyl]phenyl] (2-bromophenyl)methyl ester IUPAC Name: [4-[(2S)-2-amino-3-(heptylamino)-3-oxopropyl]phenyl] (2-bromophenyl)methyl carbonate Traditional Name: carbonic acid [4-[(2S)-2-amino-3-(heptylamino)-3-keto-propyl]phenyl] (2-bromobenzyl) ester Formula: C24H31BrN2O4 MolecularWeight: 491.41794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31BrN2O4/c1-2-3-4-5-8-15-27-23(28)22(26)16-18-11-13-20(14-12-18)31-24(29)30-17-19-9-6-7-10-21(19)25/h6-7,9-14,22H,2-5,8,15-17,26H2,1H3,(H,27,28)/t22-/m0/s1