4-(octanoylamino)-3-oxidanyl-benzoic acid

Systemtic Name: 4-(octanoylamino)-3-oxidanyl-benzoic acid Openeye Name: 3-hydroxy-4-(octanoylamino)benzoic acid CAS Name: 3-hydroxy-4-(1-oxooctylamino)benzoic acid IUPAC Name: 3-hydroxy-4-(octanoylamino)benzoic acid Traditional Name: 4-(caprylylamino)-3-hydroxy-benzoic acid Formula: C15H21NO4 MolecularWeight: 279.33154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=C(C=C(C=C1)C(=O)O)O

Isomeric SMILES

CCCCCCCC(=O)NC1=C(C=C(C=C1)C(=O)O)O

InChI

InChI=1S/C15H21NO4/c1-2-3-4-5-6-7-14(18)16-12-9-8-11(15(19)20)10-13(12)17/h8-10,17H,2-7H2,1H3,(H,16,18)(H,19,20)