2-(azepan-1-yl)ethyl pyridine-4-carboxylate

Systemtic Name: 2-(azepan-1-yl)ethyl pyridine-4-carboxylate Openeye Name: 2-(azepan-1-yl)ethyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid 2-(1-azepanyl)ethyl ester IUPAC Name: 2-(azepan-1-yl)ethyl pyridine-4-carboxylate Traditional Name: isonicotinic acid 2-(azepan-1-yl)ethyl ester Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCOC(=O)C2=CC=NC=C2

Isomeric SMILES

C1CCCN(CC1)CCOC(=O)C2=CC=NC=C2

InChI

InChI=1S/C14H20N2O2/c17-14(13-5-7-15-8-6-13)18-12-11-16-9-3-1-2-4-10-16/h5-8H,1-4,9-12H2