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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(C(=O)CC1)CCOC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1CCCN(C(=O)CC1)CCOC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H21NO4/c18-15-9-3-1-2-6-10-17(15)11-12-21-14-8-5-4-7-13(14)16(19)20/h4-5,7-8H,1-3,6,9-12H2,(H,19,20)