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

Systemtic Name: 3-[2-(2-oxidanylideneazepan-1-yl)ethoxy]benzoic acid Openeye Name: 3-[2-(2-oxoazepan-1-yl)ethoxy]benzoic acid CAS Name: 3-[2-(2-oxo-1-azepanyl)ethoxy]benzoic acid IUPAC Name: 3-[2-(2-oxoazepan-1-yl)ethoxy]benzoic acid Traditional Name: 3-[2-(2-ketoazepan-1-yl)ethoxy]benzoic acid Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCOC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CCC(=O)N(CC1)CCOC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C15H19NO4/c17-14-7-2-1-3-8-16(14)9-10-20-13-6-4-5-12(11-13)15(18)19/h4-6,11H,1-3,7-10H2,(H,18,19)