4-azanyl-2-octan-3-yl-benzoic acid

Systemtic Name: 4-azanyl-2-octan-3-yl-benzoic acid Openeye Name: 4-amino-2-(1-ethylhexyl)benzoic acid CAS Name: 4-amino-2-octan-3-ylbenzoic acid IUPAC Name: 4-amino-2-octan-3-ylbenzoic acid Traditional Name: 4-amino-2-(1-ethylhexyl)benzoic acid Formula: C15H23NO2 MolecularWeight: 249.34862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=C(C=CC(=C1)N)C(=O)O

Isomeric SMILES

CCCCCC(CC)C1=C(C=CC(=C1)N)C(=O)O

InChI

InChI=1S/C15H23NO2/c1-3-5-6-7-11(4-2)14-10-12(16)8-9-13(14)15(17)18/h8-11H,3-7,16H2,1-2H3,(H,17,18)