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

Systemtic Name: ethyl 6-chloranyl-2-phenyl-4-(2-phenylethynyl)quinoline-3-carboxylate Openeye Name: ethyl 6-chloro-2-phenyl-4-(2-phenylethynyl)quinoline-3-carboxylate CAS Name: 6-chloro-2-phenyl-4-(2-phenylethynyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-2-phenyl-4-(2-phenylethynyl)quinoline-3-carboxylate Traditional Name: 6-chloro-2-phenyl-4-(2-phenylethynyl)quinoline-3-carboxylic acid ethyl ester Formula: C26H18ClNO2 MolecularWeight: 411.87962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C=CC(=CC2=C1C#CC3=CC=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C2C=CC(=CC2=C1C#CC3=CC=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H18ClNO2/c1-2-30-26(29)24-21(15-13-18-9-5-3-6-10-18)22-17-20(27)14-16-23(22)28-25(24)19-11-7-4-8-12-19/h3-12,14,16-17H,2H2,1H3