(2R,3R)-2,3-bis(oxidanyl)butanedioic acid; (2S)-1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol

Systemtic Name: (2R,3R)-2,3-bis(oxidanyl)butanedioic acid; (2S)-1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol Openeye Name: (2S)-1-(2-allylphenoxy)-3-(isopropylamino)propan-2-ol; (2R,3R)-2,3-dihydroxybutanedioic acid CAS Name: (2R,3R)-2,3-dihydroxybutanedioic acid; (2S)-1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)-2-propanol IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid; (2S)-1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol Traditional Name: (2S)-1-(2-allylphenoxy)-3-(isopropylamino)propan-2-ol; (2R,3R)-2,3-dihydroxysuccinic acid Formula: C19H29NO8 MolecularWeight: 399.43546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=CC=C1CC=C)O.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CC(C)NC[C@@H](COC1=CC=CC=C1CC=C)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C15H23NO2.C4H6O6/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3;5-1(3(7)8)2(6)4(9)10/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t14-;1-,2-/m01/s1