6-[(6-azanylhexanoylamino)methyl]-6-oxidanyl-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 6-[(6-azanylhexanoylamino)methyl]-6-oxidanyl-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-[(6-aminohexanoylamino)methyl]-6-hydroxy-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-[[(6-amino-1-oxohexyl)amino]methyl]-6-hydroxy-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-[(6-aminohexanoylamino)methyl]-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-[(6-aminohexanoylamino)methyl]-6-hydroxy-cyclohexa-2,4-diene-1-carboxylic acid Formula: C14H22N2O4 MolecularWeight: 282.33548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C(C=C1)(CNC(=O)CCCCCN)O)C(=O)O

Isomeric SMILES

C1=CC(C(C=C1)(CNC(=O)CCCCCN)O)C(=O)O

InChI

InChI=1S/C14H22N2O4/c15-9-5-1-2-7-12(17)16-10-14(20)8-4-3-6-11(14)13(18)19/h3-4,6,8,11,20H,1-2,5,7,9-10,15H2,(H,16,17)(H,18,19)