methyl 4-[(6-azanylhexanoylamino)methyl]-2,6-bis(oxidanyl)benzoate

Systemtic Name: methyl 4-[(6-azanylhexanoylamino)methyl]-2,6-bis(oxidanyl)benzoate Openeye Name: methyl 4-[(6-aminohexanoylamino)methyl]-2,6-dihydroxy-benzoate CAS Name: 4-[[(6-amino-1-oxohexyl)amino]methyl]-2,6-dihydroxybenzoic acid methyl ester IUPAC Name: methyl 4-[(6-aminohexanoylamino)methyl]-2,6-dihydroxybenzoate Traditional Name: 4-[(6-aminohexanoylamino)methyl]-2,6-dihydroxy-benzoic acid methyl ester Formula: C15H22N2O5 MolecularWeight: 310.34558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1O)CNC(=O)CCCCCN)O

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1O)CNC(=O)CCCCCN)O

InChI

InChI=1S/C15H22N2O5/c1-22-15(21)14-11(18)7-10(8-12(14)19)9-17-13(20)5-3-2-4-6-16/h7-8,18-19H,2-6,9,16H2,1H3,(H,17,20)