(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C30H31NO3 MolecularWeight: 453.57204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H31NO3/c1-19-15-22(30(3,4)5)16-20(2)26(19)18-34-29(32)25-17-28(21-11-13-23(33-6)14-12-21)31-27-10-8-7-9-24(25)27/h7-17H,18H2,1-6H3