[2-[[3,5-bis(chloranyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: [2-[[3,5-bis(chloranyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [2-[(3,5-dichloro-2-pyridyl)amino]-2-oxo-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dichloropyridin-2-yl)amino]-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [2-[(3,5-dichloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C22H21Cl2N3O3 MolecularWeight: 446.32644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl

InChI

InChI=1S/C22H21Cl2N3O3/c1-3-7-17-14(4-2)20(15-8-5-6-9-18(15)26-17)22(29)30-12-19(28)27-21-16(24)10-13(23)11-25-21/h5-6,8-11H,3-4,7,12H2,1-2H3,(H,25,27,28)