[(2S)-1-[cyclohexyl(ethyl)amino]-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate

Systemtic Name: [(2S)-1-[cyclohexyl(ethyl)amino]-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate Openeye Name: [(1S)-2-[cyclohexyl(ethyl)amino]-1-methyl-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [(2S)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid [(1S)-2-[cyclohexyl(ethyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)C(C)OC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCN(C1CCCCC1)C(=O)[C@H](C)OC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H26N2O3/c1-3-23(17-10-5-4-6-11-17)20(24)15(2)26-21(25)19-14-13-16-9-7-8-12-18(16)22-19/h7-9,12-15,17H,3-6,10-11H2,1-2H3/t15-/m0/s1