octan-3-yl 2-oxidanylidene-1-propan-2-yl-quinoline-3-carboxylate dihydrochloride

Systemtic Name: octan-3-yl 2-oxidanylidene-1-propan-2-yl-quinoline-3-carboxylate dihydrochloride Openeye Name: 1-ethylhexyl 1-isopropyl-2-oxo-quinoline-3-carboxylate dihydrochloride CAS Name: 2-oxo-1-propan-2-yl-3-quinolinecarboxylic acid octan-3-yl ester dihydrochloride IUPAC Name: octan-3-yl 2-oxo-1-propan-2-ylquinoline-3-carboxylate dihydrochloride Traditional Name: 1-isopropyl-2-keto-quinoline-3-carboxylic acid 1-ethylhexyl ester dihydrochloride Formula: C21H31Cl2NO3 MolecularWeight: 416.38174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)OC(=O)C1=CC2=CC=CC=C2N(C1=O)C(C)C.Cl.Cl

Isomeric SMILES

CCCCCC(CC)OC(=O)C1=CC2=CC=CC=C2N(C1=O)C(C)C.Cl.Cl

InChI

InChI=1S/C21H29NO3.2ClH/c1-5-7-8-12-17(6-2)25-21(24)18-14-16-11-9-10-13-19(16)22(15(3)4)20(18)23;;/h9-11,13-15,17H,5-8,12H2,1-4H3;2*1H