(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-naphthalen-1-ylquinoline-4-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-naphthalen-1-ylquinoline-4-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(1-naphthyl)quinoline-4-carboxylate CAS Name: 2-(1-naphthalenyl)-4-quinolinecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-naphthalen-1-ylquinoline-4-carboxylate Traditional Name: 2-(1-naphthyl)cinchoninic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C33H31NO2 MolecularWeight: 473.60474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54)C)C(C)(C)C

InChI

InChI=1S/C33H31NO2/c1-21-17-24(33(3,4)5)18-22(2)29(21)20-36-32(35)28-19-31(34-30-16-9-8-14-27(28)30)26-15-10-12-23-11-6-7-13-25(23)26/h6-19H,20H2,1-5H3