3-[2-hydroxyethyl(4-oxidanylbutyl)amino]benzoic acid

Systemtic Name: 3-[2-hydroxyethyl(4-oxidanylbutyl)amino]benzoic acid Openeye Name: 3-[4-hydroxybutyl(2-hydroxyethyl)amino]benzoic acid CAS Name: 3-[4-hydroxybutyl(2-hydroxyethyl)amino]benzoic acid IUPAC Name: 3-[4-hydroxybutyl(2-hydroxyethyl)amino]benzoic acid Traditional Name: 3-[4-hydroxybutyl(2-hydroxyethyl)amino]benzoic acid Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N(CCCCO)CCO)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N(CCCCO)CCO)C(=O)O

InChI

InChI=1S/C13H19NO4/c15-8-2-1-6-14(7-9-16)12-5-3-4-11(10-12)13(17)18/h3-5,10,15-16H,1-2,6-9H2,(H,17,18)