methyl 7-methyl-2-(3-methylimidazol-4-yl)-6-(oxan-4-ylmethyl)quinoline-4-carboxylate

Systemtic Name: methyl 7-methyl-2-(3-methylimidazol-4-yl)-6-(oxan-4-ylmethyl)quinoline-4-carboxylate Openeye Name: methyl 7-methyl-2-(3-methylimidazol-4-yl)-6-(tetrahydropyran-4-ylmethyl)quinoline-4-carboxylate CAS Name: 7-methyl-2-(3-methyl-4-imidazolyl)-6-(4-oxanylmethyl)-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 7-methyl-2-(3-methylimidazol-4-yl)-6-(oxan-4-ylmethyl)quinoline-4-carboxylate Traditional Name: 7-methyl-2-(3-methylimidazol-4-yl)-6-(tetrahydropyran-4-ylmethyl)cinchoninic acid methyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=NC2=C1)C3=CN=CN3C)C(=O)OC)CC4CCOCC4

Isomeric SMILES

CC1=C(C=C2C(=CC(=NC2=C1)C3=CN=CN3C)C(=O)OC)CC4CCOCC4

InChI

InChI=1S/C22H25N3O3/c1-14-8-19-17(10-16(14)9-15-4-6-28-7-5-15)18(22(26)27-3)11-20(24-19)21-12-23-13-25(21)2/h8,10-13,15H,4-7,9H2,1-3H3