[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C22H22ClN3O3/c1-3-7-17-15(4-2)21(16-8-5-6-9-18(16)25-17)22(28)29-13-20(27)26-19-11-10-14(23)12-24-19/h5-6,8-12H,3-4,7,13H2,1-2H3,(H,24,26,27)