methyl 2-(3-methylimidazol-4-yl)-6-[2-(oxolan-3-yl)ethyl]quinoline-4-carboxylate

Systemtic Name: methyl 2-(3-methylimidazol-4-yl)-6-[2-(oxolan-3-yl)ethyl]quinoline-4-carboxylate Openeye Name: methyl 2-(3-methylimidazol-4-yl)-6-(2-tetrahydrofuran-3-ylethyl)quinoline-4-carboxylate CAS Name: 2-(3-methyl-4-imidazolyl)-6-[2-(3-oxolanyl)ethyl]-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-methylimidazol-4-yl)-6-[2-(oxolan-3-yl)ethyl]quinoline-4-carboxylate Traditional Name: 2-(3-methylimidazol-4-yl)-6-(2-tetrahydrofuran-3-ylethyl)cinchoninic acid methyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C2=NC3=C(C=C(C=C3)CCC4CCOC4)C(=C2)C(=O)OC

Isomeric SMILES

CN1C=NC=C1C2=NC3=C(C=C(C=C3)CCC4CCOC4)C(=C2)C(=O)OC

InChI

InChI=1S/C21H23N3O3/c1-24-13-22-11-20(24)19-10-17(21(25)26-2)16-9-14(5-6-18(16)23-19)3-4-15-7-8-27-12-15/h5-6,9-11,13,15H,3-4,7-8,12H2,1-2H3