[2-[[(2S)-octan-2-yl]amino]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: [2-[[(2S)-octan-2-yl]amino]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [2-[[(1S)-1-methylheptyl]amino]-2-oxo-ethyl] 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid [2-[[(2S)-octan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-octan-2-yl]amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [2-keto-2-[[(1S)-1-methylheptyl]amino]ethyl] ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)COC(=O)C1=CC(=O)NC2=CC=CC=C21

Isomeric SMILES

CCCCCC[C@H](C)NC(=O)COC(=O)C1=CC(=O)NC2=CC=CC=C21

InChI

InChI=1S/C20H26N2O4/c1-3-4-5-6-9-14(2)21-19(24)13-26-20(25)16-12-18(23)22-17-11-8-7-10-15(16)17/h7-8,10-12,14H,3-6,9,13H2,1-2H3,(H,21,24)(H,22,23)/t14-/m0/s1