ethyl 2-[2-(4-methylphenyl)ethynyl]-2H-quinoline-1-carboxylate

Systemtic Name: ethyl 2-[2-(4-methylphenyl)ethynyl]-2H-quinoline-1-carboxylate Openeye Name: ethyl 2-[2-(p-tolyl)ethynyl]-2H-quinoline-1-carboxylate CAS Name: 2-[2-(4-methylphenyl)ethynyl]-2H-quinoline-1-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methylphenyl)ethynyl]-2H-quinoline-1-carboxylate Traditional Name: 2-[2-(p-tolyl)ethynyl]-2H-quinoline-1-carboxylic acid ethyl ester Formula: C21H19NO2 MolecularWeight: 317.38106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(C=CC2=CC=CC=C21)C#CC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1C(C=CC2=CC=CC=C21)C#CC3=CC=C(C=C3)C

InChI

InChI=1S/C21H19NO2/c1-3-24-21(23)22-19(14-12-17-10-8-16(2)9-11-17)15-13-18-6-4-5-7-20(18)22/h4-11,13,15,19H,3H2,1-2H3