[1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)NC1CCCC1)OC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C18H20N2O3/c1-12(17(21)19-14-7-3-4-8-14)23-18(22)16-11-10-13-6-2-5-9-15(13)20-16/h2,5-6,9-12,14H,3-4,7-8H2,1H3,(H,19,21)