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

Systemtic Name: 1-[2-(1,3-dioxolan-2-yl)phenoxy]-3-(propan-2-ylamino)propan-2-ol; hexanedioic acid Openeye Name: adipic acid; 1-[2-(1,3-dioxolan-2-yl)phenoxy]-3-(isopropylamino)propan-2-ol CAS Name: 1-[2-(1,3-dioxolan-2-yl)phenoxy]-3-(propan-2-ylamino)-2-propanol; hexanedioic acid IUPAC Name: 1-[2-(1,3-dioxolan-2-yl)phenoxy]-3-(propan-2-ylamino)propan-2-ol; hexanedioic acid Traditional Name: adipic acid; 1-[2-(1,3-dioxolan-2-yl)phenoxy]-3-(isopropylamino)propan-2-ol Formula: C21H33NO8 MolecularWeight: 427.48862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO4.C6H10O4/c1-11(2)16-9-12(17)10-20-14-6-4-3-5-13(14)15-18-7-8-19-15;7-5(8)3-1-2-4-6(9)10/h3-6,11-12,15-17H,7-10H2,1-2H3;1-4H2,(H,7,8)(H,9,10)