methyl 2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylate

Systemtic Name: methyl 2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylate Openeye Name: methyl 2-(3-isobutoxyphenyl)quinoline-4-carboxylate CAS Name: 2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylate Traditional Name: 2-(3-isobutoxyphenyl)cinchoninic acid methyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC

InChI

InChI=1S/C21H21NO3/c1-14(2)13-25-16-8-6-7-15(11-16)20-12-18(21(23)24-3)17-9-4-5-10-19(17)22-20/h4-12,14H,13H2,1-3H3