methyl 4-(2-phenylethynyl)-8-phenylmethoxy-quinoline-2-carboxylate

Systemtic Name: methyl 4-(2-phenylethynyl)-8-phenylmethoxy-quinoline-2-carboxylate Openeye Name: methyl 8-benzyloxy-4-(2-phenylethynyl)quinoline-2-carboxylate CAS Name: 4-(2-phenylethynyl)-8-phenylmethoxy-2-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-phenylethynyl)-8-phenylmethoxyquinoline-2-carboxylate Traditional Name: 8-benzoxy-4-(2-phenylethynyl)quinaldic acid methyl ester Formula: C26H19NO3 MolecularWeight: 393.43396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC2=C(C=CC=C2OCC3=CC=CC=C3)C(=C1)C#CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=NC2=C(C=CC=C2OCC3=CC=CC=C3)C(=C1)C#CC4=CC=CC=C4

InChI

InChI=1S/C26H19NO3/c1-29-26(28)23-17-21(16-15-19-9-4-2-5-10-19)22-13-8-14-24(25(22)27-23)30-18-20-11-6-3-7-12-20/h2-14,17H,18H2,1H3