methyl 4-[5-(3-chloranyl-3-oxidanylidene-propyl)quinolin-8-yl]benzoate

Systemtic Name: methyl 4-[5-(3-chloranyl-3-oxidanylidene-propyl)quinolin-8-yl]benzoate Openeye Name: methyl 4-[5-(3-chloro-3-oxo-propyl)-8-quinolyl]benzoate CAS Name: 4-[5-(3-chloro-3-oxopropyl)-8-quinolinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(3-chloro-3-oxopropyl)quinolin-8-yl]benzoate Traditional Name: 4-[5-(3-chloro-3-keto-propyl)-8-quinolyl]benzoic acid methyl ester Formula: C20H16ClNO3 MolecularWeight: 353.79894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C3C(=C(C=C2)CCC(=O)Cl)C=CC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C3C(=C(C=C2)CCC(=O)Cl)C=CC=N3

InChI

InChI=1S/C20H16ClNO3/c1-25-20(24)15-6-4-13(5-7-15)17-10-8-14(9-11-18(21)23)16-3-2-12-22-19(16)17/h2-8,10,12H,9,11H2,1H3