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

Systemtic Name: methyl 2-[4-(3-methylbutoxy)phenyl]quinoline-4-carboxylate Openeye Name: methyl 2-(4-isopentyloxyphenyl)quinoline-4-carboxylate CAS Name: 2-[4-(3-methylbutoxy)phenyl]-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(3-methylbutoxy)phenyl]quinoline-4-carboxylate Traditional Name: 2-(4-isoamoxyphenyl)cinchoninic acid methyl ester Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC

InChI

InChI=1S/C22H23NO3/c1-15(2)12-13-26-17-10-8-16(9-11-17)21-14-19(22(24)25-3)18-6-4-5-7-20(18)23-21/h4-11,14-15H,12-13H2,1-3H3