3-methoxy-2-(2-oxidanylideneazepan-3-yl)oxy-benzoic acid

Systemtic Name: 3-methoxy-2-(2-oxidanylideneazepan-3-yl)oxy-benzoic acid Openeye Name: 3-methoxy-2-(2-oxoazepan-3-yl)oxy-benzoic acid CAS Name: 3-methoxy-2-[(2-oxo-3-azepanyl)oxy]benzoic acid IUPAC Name: 3-methoxy-2-(2-oxoazepan-3-yl)oxybenzoic acid Traditional Name: 2-(2-ketoazepan-3-yl)oxy-3-methoxy-benzoic acid Formula: C14H17NO5 MolecularWeight: 279.28848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC2CCCCNC2=O)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC2CCCCNC2=O)C(=O)O

InChI

InChI=1S/C14H17NO5/c1-19-10-7-4-5-9(14(17)18)12(10)20-11-6-2-3-8-15-13(11)16/h4-5,7,11H,2-3,6,8H2,1H3,(H,15,16)(H,17,18)