3-[4-(azepan-1-ylcarbonyl)phenoxy]propanoic acid

Systemtic Name: 3-[4-(azepan-1-ylcarbonyl)phenoxy]propanoic acid Openeye Name: 3-[4-(azepane-1-carbonyl)phenoxy]propanoic acid CAS Name: 3-[4-[1-azepanyl(oxo)methyl]phenoxy]propanoic acid IUPAC Name: 3-[4-(azepane-1-carbonyl)phenoxy]propanoic acid Traditional Name: 3-[4-(azepane-1-carbonyl)phenoxy]propionic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c18-15(19)9-12-21-14-7-5-13(6-8-14)16(20)17-10-3-1-2-4-11-17/h5-8H,1-4,9-12H2,(H,18,19)