3-azanyl-5-(hexanoylamino)benzoic acid

Systemtic Name: 3-azanyl-5-(hexanoylamino)benzoic acid Openeye Name: 3-amino-5-(hexanoylamino)benzoic acid CAS Name: 3-amino-5-(1-oxohexylamino)benzoic acid IUPAC Name: 3-amino-5-(hexanoylamino)benzoic acid Traditional Name: 3-amino-5-(caproylamino)benzoic acid Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC(=CC(=C1)N)C(=O)O

Isomeric SMILES

CCCCCC(=O)NC1=CC(=CC(=C1)N)C(=O)O

InChI

InChI=1S/C13H18N2O3/c1-2-3-4-5-12(16)15-11-7-9(13(17)18)6-10(14)8-11/h6-8H,2-5,14H2,1H3,(H,15,16)(H,17,18)