3,4,5-triacetyloxy-6-[4-(4-azanylbutyl)phenoxy]oxane-2-carboxylic acid

Systemtic Name: 3,4,5-triacetyloxy-6-[4-(4-azanylbutyl)phenoxy]oxane-2-carboxylic acid Openeye Name: 3,4,5-triacetoxy-6-[4-(4-aminobutyl)phenoxy]tetrahydropyran-2-carboxylic acid CAS Name: 3,4,5-triacetyloxy-6-[4-(4-aminobutyl)phenoxy]-2-oxanecarboxylic acid IUPAC Name: 3,4,5-triacetyloxy-6-[4-(4-aminobutyl)phenoxy]oxane-2-carboxylic acid Traditional Name: 3,4,5-triacetoxy-6-[4-(4-aminobutyl)phenoxy]tetrahydropyran-2-carboxylic acid Formula: C22H29NO10 MolecularWeight: 467.46636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC(C1OC(=O)C)OC2=CC=C(C=C2)CCCCN)C(=O)O)OC(=O)C

Isomeric SMILES

CC(=O)OC1C(C(OC(C1OC(=O)C)OC2=CC=C(C=C2)CCCCN)C(=O)O)OC(=O)C

InChI

InChI=1S/C22H29NO10/c1-12(24)29-17-18(30-13(2)25)20(31-14(3)26)22(33-19(17)21(27)28)32-16-9-7-15(8-10-16)6-4-5-11-23/h7-10,17-20,22H,4-6,11,23H2,1-3H3,(H,27,28)