ethynyl 2,5-dimethoxy-4-oxidanylidene-1-(piperidin-4-ylmethyl)quinoline-3-carboxylate

Systemtic Name: ethynyl 2,5-dimethoxy-4-oxidanylidene-1-(piperidin-4-ylmethyl)quinoline-3-carboxylate Openeye Name: ethynyl 2,5-dimethoxy-4-oxo-1-(4-piperidylmethyl)quinoline-3-carboxylate CAS Name: 2,5-dimethoxy-4-oxo-1-(4-piperidinylmethyl)-3-quinolinecarboxylic acid ethynyl ester IUPAC Name: ethynyl 2,5-dimethoxy-4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylate Traditional Name: 4-keto-2,5-dimethoxy-1-(4-piperidylmethyl)quinoline-3-carboxylic acid ethynyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=O)C(=C(N2CC3CCNCC3)OC)C(=O)OC#C

Isomeric SMILES

COC1=CC=CC2=C1C(=O)C(=C(N2CC3CCNCC3)OC)C(=O)OC#C

InChI

InChI=1S/C20H22N2O5/c1-4-27-20(24)17-18(23)16-14(6-5-7-15(16)25-2)22(19(17)26-3)12-13-8-10-21-11-9-13/h1,5-7,13,21H,8-12H2,2-3H3