4-[[(5-oxidanyl-5-oxidanylidene-pentyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(5-oxidanyl-5-oxidanylidene-pentyl)amino]methyl]benzoic acid Openeye Name: 4-[[(5-hydroxy-5-oxo-pentyl)amino]methyl]benzoic acid CAS Name: 4-[[(5-hydroxy-5-oxopentyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(5-hydroxy-5-oxopentyl)amino]methyl]benzoic acid Traditional Name: 4-[[(5-hydroxy-5-keto-pentyl)amino]methyl]benzoic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCCCCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNCCCCC(=O)O)C(=O)O

InChI

InChI=1S/C13H17NO4/c15-12(16)3-1-2-8-14-9-10-4-6-11(7-5-10)13(17)18/h4-7,14H,1-3,8-9H2,(H,15,16)(H,17,18)