[(2S,3S,4R)-2-(dimethylamino)-1-methoxy-4-(methoxymethoxy)hex-5-en-3-yl] benzoate

Systemtic Name: [(2S,3S,4R)-2-(dimethylamino)-1-methoxy-4-(methoxymethoxy)hex-5-en-3-yl] benzoate Openeye Name: [(1S,2R)-1-[(1S)-1-(dimethylamino)-2-methoxy-ethyl]-2-(methoxymethoxy)but-3-enyl] benzoate CAS Name: benzoic acid [(2S,3S,4R)-2-(dimethylamino)-1-methoxy-4-(methoxymethoxy)hex-5-en-3-yl] ester IUPAC Name: [(2S,3S,4R)-2-(dimethylamino)-1-methoxy-4-(methoxymethoxy)hex-5-en-3-yl] benzoate Traditional Name: benzoic acid [(1S,2R)-1-[(1S)-1-(dimethylamino)-2-methoxy-ethyl]-2-(methoxymethoxy)but-3-enyl] ester Formula: C18H27NO5 MolecularWeight: 337.41068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(COC)C(C(C=C)OCOC)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CN(C)[C@@H](COC)[C@@H]([C@@H](C=C)OCOC)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C18H27NO5/c1-6-16(23-13-22-5)17(15(12-21-4)19(2)3)24-18(20)14-10-8-7-9-11-14/h6-11,15-17H,1,12-13H2,2-5H3/t15-,16+,17-/m0/s1