ethyl 4-(4-ethynylphenyl)-6-methyl-quinoline-2-carboxylate

Systemtic Name: ethyl 4-(4-ethynylphenyl)-6-methyl-quinoline-2-carboxylate Openeye Name: ethyl 4-(4-ethynylphenyl)-6-methyl-quinoline-2-carboxylate CAS Name: 4-(4-ethynylphenyl)-6-methyl-2-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethynylphenyl)-6-methylquinoline-2-carboxylate Traditional Name: 4-(4-ethynylphenyl)-6-methyl-quinaldic acid ethyl ester Formula: C21H17NO2 MolecularWeight: 315.36518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C(C=C(C=C2)C)C(=C1)C3=CC=C(C=C3)C#C

Isomeric SMILES

CCOC(=O)C1=NC2=C(C=C(C=C2)C)C(=C1)C3=CC=C(C=C3)C#C

InChI

InChI=1S/C21H17NO2/c1-4-15-7-9-16(10-8-15)17-13-20(21(23)24-5-2)22-19-11-6-14(3)12-18(17)19/h1,6-13H,5H2,2-3H3