diethyl 2-[1-[(E)-oct-5-en-3-yl]-4-oxidanylidene-quinolin-3-yl]carbonylpropanedioate hydrochloride

Systemtic Name: diethyl 2-[1-[(E)-oct-5-en-3-yl]-4-oxidanylidene-quinolin-3-yl]carbonylpropanedioate hydrochloride Openeye Name: diethyl 2-[1-[(E)-1-ethylhex-3-enyl]-4-oxo-quinoline-3-carbonyl]propanedioate hydrochloride CAS Name: 2-[[1-[(E)-oct-5-en-3-yl]-4-oxo-3-quinolinyl]-oxomethyl]propanedioic acid diethyl ester hydrochloride IUPAC Name: diethyl 2-[1-[(E)-oct-5-en-3-yl]-4-oxoquinoline-3-carbonyl]propanedioate hydrochloride Traditional Name: 2-[1-[(E)-1-ethylhex-3-enyl]-4-keto-quinoline-3-carbonyl]malonic acid diethyl ester hydrochloride Formula: C25H32ClNO6 MolecularWeight: 477.97768

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC(CC)N1C=C(C(=O)C2=CC=CC=C21)C(=O)C(C(=O)OCC)C(=O)OCC.Cl

Isomeric SMILES

CC/C=C/CC(CC)N1C=C(C(=O)C2=CC=CC=C21)C(=O)C(C(=O)OCC)C(=O)OCC.Cl

InChI

InChI=1S/C25H31NO6.ClH/c1-5-9-10-13-17(6-2)26-16-19(22(27)18-14-11-12-15-20(18)26)23(28)21(24(29)31-7-3)25(30)32-8-4;/h9-12,14-17,21H,5-8,13H2,1-4H3;1H/b10-9+;