3-[2-(2-oxidanylideneazocan-1-yl)ethoxy]benzoic acid

Systemtic Name: 3-[2-(2-oxidanylideneazocan-1-yl)ethoxy]benzoic acid Openeye Name: 3-[2-(2-oxoazocan-1-yl)ethoxy]benzoic acid CAS Name: 3-[2-(2-oxo-1-azocanyl)ethoxy]benzoic acid IUPAC Name: 3-[2-(2-oxoazocan-1-yl)ethoxy]benzoic acid Traditional Name: 3-[2-(2-ketoazocan-1-yl)ethoxy]benzoic acid Formula: C16H21NO4 MolecularWeight: 291.34224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(C(=O)CC1)CCOC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CCCN(C(=O)CC1)CCOC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C16H21NO4/c18-15-8-3-1-2-4-9-17(15)10-11-21-14-7-5-6-13(12-14)16(19)20/h5-7,12H,1-4,8-11H2,(H,19,20)