ethyl 2-cyano-3-[1-[(E)-oct-5-en-3-yl]-4-oxidanylidene-quinolin-3-yl]-3-oxidanylidene-propanoate hydrochloride

Systemtic Name: ethyl 2-cyano-3-[1-[(E)-oct-5-en-3-yl]-4-oxidanylidene-quinolin-3-yl]-3-oxidanylidene-propanoate hydrochloride Openeye Name: ethyl 2-cyano-3-[1-[(E)-1-ethylhex-3-enyl]-4-oxo-3-quinolyl]-3-oxo-propanoate hydrochloride CAS Name: 2-cyano-3-[1-[(E)-oct-5-en-3-yl]-4-oxo-3-quinolinyl]-3-oxopropanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-cyano-3-[1-[(E)-oct-5-en-3-yl]-4-oxoquinolin-3-yl]-3-oxopropanoate hydrochloride Traditional Name: 2-cyano-3-[1-[(E)-1-ethylhex-3-enyl]-4-keto-3-quinolyl]-3-keto-propionic acid ethyl ester hydrochloride Formula: C23H27ClN2O4 MolecularWeight: 430.92448

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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#N)C(=O)OCC.Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4.ClH/c1-4-7-8-11-16(5-2)25-15-19(21(26)17-12-9-10-13-20(17)25)22(27)18(14-24)23(28)29-6-3;/h7-10,12-13,15-16,18H,4-6,11H2,1-3H3;1H/b8-7+;