[(1S)-2-oxidanylidenecyclohexyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 2-(5-methyl-2-furyl)quinoline-4-carboxylate CAS Name: 2-(5-methyl-2-furanyl)-4-quinolinecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-methyl-2-furyl)cinchoninic acid [(1S)-2-ketocyclohexyl] ester Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC4CCCCC4=O

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)O[C@H]4CCCCC4=O

InChI

InChI=1S/C21H19NO4/c1-13-10-11-19(25-13)17-12-15(14-6-2-3-7-16(14)22-17)21(24)26-20-9-5-4-8-18(20)23/h2-3,6-7,10-12,20H,4-5,8-9H2,1H3/t20-/m0/s1