(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(5-methyl-2-furyl)quinoline-4-carboxylate CAS Name: 2-(5-methyl-2-furanyl)-4-quinolinecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-methyl-2-furyl)cinchoninic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C28H29NO3 MolecularWeight: 427.53476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=C(C=C(C=C4C)C(C)(C)C)C

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=C(C=C(C=C4C)C(C)(C)C)C

InChI

InChI=1S/C28H29NO3/c1-17-13-20(28(4,5)6)14-18(2)23(17)16-31-27(30)22-15-25(26-12-11-19(3)32-26)29-24-10-8-7-9-21(22)24/h7-15H,16H2,1-6H3