[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(3-methoxypropylamino)-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-(3-methoxypropylamino)-2-oxo-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(2-chlorophenyl)-4-quinolinecarboxylic acid [2-(3-methoxypropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxypropylamino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(2-chlorophenyl)cinchoninic acid [2-keto-2-(3-methoxypropylamino)ethyl] ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3Cl

Isomeric SMILES

COCCCNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H21ClN2O4/c1-28-12-6-11-24-21(26)14-29-22(27)17-13-20(16-8-2-4-9-18(16)23)25-19-10-5-3-7-15(17)19/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,24,26)