[(1R,2R)-1-azido-3-methoxy-3-oxidanylidene-1-phenyl-propan-2-yl] octanoate

Systemtic Name: [(1R,2R)-1-azido-3-methoxy-3-oxidanylidene-1-phenyl-propan-2-yl] octanoate Openeye Name: [(1R)-1-[(R)-azido(phenyl)methyl]-2-methoxy-2-oxo-ethyl] octanoate CAS Name: octanoic acid [(1R,2R)-1-azido-3-methoxy-3-oxo-1-phenylpropan-2-yl] ester IUPAC Name: [(1R,2R)-1-azido-3-methoxy-3-oxo-1-phenylpropan-2-yl] octanoate Traditional Name: caprylic acid [(1R)-1-[(R)-azido(phenyl)methyl]-2-keto-2-methoxy-ethyl] ester Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(C(C1=CC=CC=C1)N=[N+]=[N-])C(=O)OC

Isomeric SMILES

CCCCCCCC(=O)O[C@H]([C@@H](C1=CC=CC=C1)N=[N+]=[N-])C(=O)OC

InChI

InChI=1S/C18H25N3O4/c1-3-4-5-6-10-13-15(22)25-17(18(23)24-2)16(20-21-19)14-11-8-7-9-12-14/h7-9,11-12,16-17H,3-6,10,13H2,1-2H3/t16-,17-/m1/s1