2-(2-pyridin-3-ylazepan-1-yl)ethanoic acid

Systemtic Name: 2-(2-pyridin-3-ylazepan-1-yl)ethanoic acid Openeye Name: 2-[2-(3-pyridyl)azepan-1-yl]acetic acid CAS Name: 2-[2-(3-pyridinyl)-1-azepanyl]acetic acid IUPAC Name: 2-(2-pyridin-3-ylazepan-1-yl)acetic acid Traditional Name: 2-[2-(3-pyridyl)azepan-1-yl]acetic acid Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)CC(=O)O)C2=CN=CC=C2

Isomeric SMILES

C1CCC(N(CC1)CC(=O)O)C2=CN=CC=C2

InChI

InChI=1S/C13H18N2O2/c16-13(17)10-15-8-3-1-2-6-12(15)11-5-4-7-14-9-11/h4-5,7,9,12H,1-3,6,8,10H2,(H,16,17)