[6-[4-(diacetyloxymethyl)phenoxy]-1-oxidanyl-hexan-2-yl] 4-(methylamino)-4-oxidanylidene-butanoate

Systemtic Name: [6-[4-(diacetyloxymethyl)phenoxy]-1-oxidanyl-hexan-2-yl] 4-(methylamino)-4-oxidanylidene-butanoate Openeye Name: [5-[4-(diacetoxymethyl)phenoxy]-1-(hydroxymethyl)pentyl] 4-(methylamino)-4-oxo-butanoate CAS Name: 4-(methylamino)-4-oxobutanoic acid [6-[4-(diacetyloxymethyl)phenoxy]-1-hydroxyhexan-2-yl] ester IUPAC Name: [6-[4-(diacetyloxymethyl)phenoxy]-1-hydroxyhexan-2-yl] 4-(methylamino)-4-oxobutanoate Traditional Name: 4-keto-4-(methylamino)butyric acid [5-[4-(diacetoxymethyl)phenoxy]-1-methylol-pentyl] ester Formula: C22H31NO9 MolecularWeight: 453.48284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=C(C=C1)OCCCCC(CO)OC(=O)CCC(=O)NC)OC(=O)C

Isomeric SMILES

CC(=O)OC(C1=CC=C(C=C1)OCCCCC(CO)OC(=O)CCC(=O)NC)OC(=O)C

InChI

InChI=1S/C22H31NO9/c1-15(25)30-22(31-16(2)26)17-7-9-18(10-8-17)29-13-5-4-6-19(14-24)32-21(28)12-11-20(27)23-3/h7-10,19,22,24H,4-6,11-14H2,1-3H3,(H,23,27)