[8-[7-[2-(2-hydroxyethylamino)-2-oxidanylidene-ethyl]peroxy-7-oxidanylidene-heptyl]-7-methyl-naphthalen-1-yl] 2-methylbutanoate

Systemtic Name: [8-[7-[2-(2-hydroxyethylamino)-2-oxidanylidene-ethyl]peroxy-7-oxidanylidene-heptyl]-7-methyl-naphthalen-1-yl] 2-methylbutanoate Openeye Name: [8-[7-[2-(2-hydroxyethylamino)-2-oxo-ethyl]peroxy-7-oxo-heptyl]-7-methyl-1-naphthyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [8-[7-[2-(2-hydroxyethylamino)-2-oxoethyl]dioxy-7-oxoheptyl]-7-methyl-1-naphthalenyl] ester IUPAC Name: [8-[7-[2-(2-hydroxyethylamino)-2-oxoethyl]peroxy-7-oxoheptyl]-7-methylnaphthalen-1-yl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [8-[7-[2-(2-hydroxyethylamino)-2-keto-ethyl]peroxy-7-keto-heptyl]-7-methyl-1-naphthyl] ester Formula: C27H37NO7 MolecularWeight: 487.58518

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1=CC=CC2=C1C(=C(C=C2)C)CCCCCCC(=O)OOCC(=O)NCCO

Isomeric SMILES

CCC(C)C(=O)OC1=CC=CC2=C1C(=C(C=C2)C)CCCCCCC(=O)OOCC(=O)NCCO

InChI

InChI=1S/C27H37NO7/c1-4-19(2)27(32)34-23-12-9-10-21-15-14-20(3)22(26(21)23)11-7-5-6-8-13-25(31)35-33-18-24(30)28-16-17-29/h9-10,12,14-15,19,29H,4-8,11,13,16-18H2,1-3H3,(H,28,30)