methyl 2-(4-butan-2-ylphenyl)quinoline-4-carboxylate

Systemtic Name: methyl 2-(4-butan-2-ylphenyl)quinoline-4-carboxylate Openeye Name: methyl 2-(4-sec-butylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-butan-2-ylphenyl)-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-butan-2-ylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-sec-butylphenyl)cinchoninic acid methyl ester Formula: C21H21NO2 MolecularWeight: 319.39694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC

InChI

InChI=1S/C21H21NO2/c1-4-14(2)15-9-11-16(12-10-15)20-13-18(21(23)24-3)17-7-5-6-8-19(17)22-20/h5-14H,4H2,1-3H3