1-(tert-butylamino)-3-[2-(1,3-dioxolan-2-yl)phenoxy]propan-2-ol; hexanedioic acid

Systemtic Name: 1-(tert-butylamino)-3-[2-(1,3-dioxolan-2-yl)phenoxy]propan-2-ol; hexanedioic acid Openeye Name: adipic acid; 1-(tert-butylamino)-3-[2-(1,3-dioxolan-2-yl)phenoxy]propan-2-ol CAS Name: 1-(tert-butylamino)-3-[2-(1,3-dioxolan-2-yl)phenoxy]-2-propanol; hexanedioic acid IUPAC Name: 1-(tert-butylamino)-3-[2-(1,3-dioxolan-2-yl)phenoxy]propan-2-ol; hexanedioic acid Traditional Name: adipic acid; 1-(tert-butylamino)-3-[2-(1,3-dioxolan-2-yl)phenoxy]propan-2-ol Formula: C22H35NO8 MolecularWeight: 441.5152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=CC=C1C2OCCO2)O.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=CC=C1C2OCCO2)O.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C16H25NO4.C6H10O4/c1-16(2,3)17-10-12(18)11-21-14-7-5-4-6-13(14)15-19-8-9-20-15;7-5(8)3-1-2-4-6(9)10/h4-7,12,15,17-18H,8-11H2,1-3H3;1-4H2,(H,7,8)(H,9,10)