O1-[(6-azanylhexanoylamino)methyl] O3-tert-butyl 2,4-bis(oxidanyl)benzene-1,3-dicarboxylate

Systemtic Name: O1-[(6-azanylhexanoylamino)methyl] O3-tert-butyl 2,4-bis(oxidanyl)benzene-1,3-dicarboxylate Openeye Name: O1-[(6-aminohexanoylamino)methyl] O3-tert-butyl 2,4-dihydroxybenzene-1,3-dicarboxylate CAS Name: 2,4-dihydroxybenzene-1,3-dicarboxylic acid O1-[[(6-amino-1-oxohexyl)amino]methyl] ester O3-tert-butyl ester IUPAC Name: 1-O-[(6-aminohexanoylamino)methyl] 3-O-tert-butyl 2,4-dihydroxybenzene-1,3-dicarboxylate Traditional Name: 2,4-dihydroxybenzene-1,3-dicarboxylic acid O1-[(6-aminohexanoylamino)methyl] ester O3-tert-butyl ester Formula: C19H28N2O7 MolecularWeight: 396.43482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=CC(=C1O)C(=O)OCNC(=O)CCCCCN)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=CC(=C1O)C(=O)OCNC(=O)CCCCCN)O

InChI

InChI=1S/C19H28N2O7/c1-19(2,3)28-18(26)15-13(22)9-8-12(16(15)24)17(25)27-11-21-14(23)7-5-4-6-10-20/h8-9,22,24H,4-7,10-11,20H2,1-3H3,(H,21,23)