ethyl 6-chloranyl-2-methyl-4-(2-phenylethynyl)quinoline-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-2-methyl-4-(2-phenylethynyl)quinoline-3-carboxylate Openeye Name: ethyl 6-chloro-2-methyl-4-(2-phenylethynyl)quinoline-3-carboxylate CAS Name: 6-chloro-2-methyl-4-(2-phenylethynyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-2-methyl-4-(2-phenylethynyl)quinoline-3-carboxylate Traditional Name: 6-chloro-2-methyl-4-(2-phenylethynyl)quinoline-3-carboxylic acid ethyl ester Formula: C21H16ClNO2 MolecularWeight: 349.81024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C=CC(=CC2=C1C#CC3=CC=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2C=CC(=CC2=C1C#CC3=CC=CC=C3)Cl)C

InChI

InChI=1S/C21H16ClNO2/c1-3-25-21(24)20-14(2)23-19-12-10-16(22)13-18(19)17(20)11-9-15-7-5-4-6-8-15/h4-8,10,12-13H,3H2,1-2H3