methyl 2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylate

Systemtic Name: methyl 2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylate Openeye Name: methyl 2-(4-isobutylphenyl)quinoline-4-carboxylate CAS Name: 2-[4-(2-methylpropyl)phenyl]-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylate Traditional Name: 2-(4-isobutylphenyl)cinchoninic acid methyl ester Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC

InChI

InChI=1S/C21H21NO2/c1-14(2)12-15-8-10-16(11-9-15)20-13-18(21(23)24-3)17-6-4-5-7-19(17)22-20/h4-11,13-14H,12H2,1-3H3