[(2S)-2-azido-3-phenyl-propyl] (2Z,4E)-4-(4-bromophenyl)carbonyl-3-methyl-nona-2,4,8-trienoate

Systemtic Name: [(2S)-2-azido-3-phenyl-propyl] (2Z,4E)-4-(4-bromophenyl)carbonyl-3-methyl-nona-2,4,8-trienoate Openeye Name: [(2S)-2-azido-3-phenyl-propyl] (2Z,4E)-4-(4-bromobenzoyl)-3-methyl-nona-2,4,8-trienoate CAS Name: (2Z,4E)-4-[(4-bromophenyl)-oxomethyl]-3-methylnona-2,4,8-trienoic acid [(2S)-2-azido-3-phenylpropyl] ester IUPAC Name: [(2S)-2-azido-3-phenylpropyl] (2Z,4E)-4-(4-bromobenzoyl)-3-methylnona-2,4,8-trienoate Traditional Name: (2Z,4E)-4-(4-bromobenzoyl)-3-methyl-nona-2,4,8-trienoic acid [(2S)-2-azido-3-phenyl-propyl] ester Formula: C26H26BrN3O3 MolecularWeight: 508.40694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCC(CC1=CC=CC=C1)N=[N+]=[N-])C(=CCCC=C)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C/C(=C/C(=O)OC[C@H](CC1=CC=CC=C1)N=[N+]=[N-])/C(=C\CCC=C)/C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C26H26BrN3O3/c1-3-4-6-11-24(26(32)21-12-14-22(27)15-13-21)19(2)16-25(31)33-18-23(29-30-28)17-20-9-7-5-8-10-20/h3,5,7-16,23H,1,4,6,17-18H2,2H3/b19-16-,24-11+/t23-/m0/s1