(4-tert-butylphenyl)methyl 2-naphthalen-1-ylquinoline-4-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 2-naphthalen-1-ylquinoline-4-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 2-(1-naphthyl)quinoline-4-carboxylate CAS Name: 2-(1-naphthalenyl)-4-quinolinecarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-naphthalen-1-ylquinoline-4-carboxylate Traditional Name: 2-(1-naphthyl)cinchoninic acid (4-tert-butylbenzyl) ester Formula: C31H27NO2 MolecularWeight: 445.55158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C31H27NO2/c1-31(2,3)23-17-15-21(16-18-23)20-34-30(33)27-19-29(32-28-14-7-6-12-26(27)28)25-13-8-10-22-9-4-5-11-24(22)25/h4-19H,20H2,1-3H3