3-chloranyl-5-(hexanoylamino)-4-methoxy-benzoic acid

Systemtic Name: 3-chloranyl-5-(hexanoylamino)-4-methoxy-benzoic acid Openeye Name: 3-chloro-5-(hexanoylamino)-4-methoxy-benzoic acid CAS Name: 3-chloro-4-methoxy-5-(1-oxohexylamino)benzoic acid IUPAC Name: 3-chloro-5-(hexanoylamino)-4-methoxybenzoic acid Traditional Name: 3-(caproylamino)-5-chloro-4-methoxy-benzoic acid Formula: C14H18ClNO4 MolecularWeight: 299.75002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=C(C(=CC(=C1)C(=O)O)Cl)OC

Isomeric SMILES

CCCCCC(=O)NC1=C(C(=CC(=C1)C(=O)O)Cl)OC

InChI

InChI=1S/C14H18ClNO4/c1-3-4-5-6-12(17)16-11-8-9(14(18)19)7-10(15)13(11)20-2/h7-8H,3-6H2,1-2H3,(H,16,17)(H,18,19)