(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-pyridin-3-ylquinoline-4-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-pyridin-3-ylquinoline-4-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(3-pyridyl)quinoline-4-carboxylate CAS Name: 2-(3-pyridinyl)-4-quinolinecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-pyridin-3-ylquinoline-4-carboxylate Traditional Name: 2-(3-pyridyl)cinchoninic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C28H28N2O2 MolecularWeight: 424.53412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4)C)C(C)(C)C

InChI

InChI=1S/C28H28N2O2/c1-18-13-21(28(3,4)5)14-19(2)24(18)17-32-27(31)23-15-26(20-9-8-12-29-16-20)30-25-11-7-6-10-22(23)25/h6-16H,17H2,1-5H3