2-[4-(azepan-1-ylcarbonyl)-2-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-(azepane-1-carbonyl)-2-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-(azepane-1-carbonyl)-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-(azepane-1-carbonyl)-2-methoxy-phenoxy]acetic acid Formula: C16H21NO5 MolecularWeight: 307.34164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCCCCC2)OCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCCCCC2)OCC(=O)O

InChI

InChI=1S/C16H21NO5/c1-21-14-10-12(6-7-13(14)22-11-15(18)19)16(20)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9,11H2,1H3,(H,18,19)