[2-(azepan-1-yl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C18H20N2O3/c21-17(20-11-5-1-2-6-12-20)13-23-18(22)16-10-9-14-7-3-4-8-15(14)19-16/h3-4,7-10H,1-2,5-6,11-13H2