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

Systemtic Name: 3-[2-(azocan-1-yl)-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 3-[2-(azocan-1-yl)-2-oxo-ethoxy]benzoic acid CAS Name: 3-[2-(1-azocanyl)-2-oxoethoxy]benzoic acid IUPAC Name: 3-[2-(azocan-1-yl)-2-oxoethoxy]benzoic acid Traditional Name: 3-[2-(azocan-1-yl)-2-keto-ethoxy]benzoic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C16H21NO4/c18-15(17-9-4-2-1-3-5-10-17)12-21-14-8-6-7-13(11-14)16(19)20/h6-8,11H,1-5,9-10,12H2,(H,19,20)