(4-tert-butylphenyl)methyl 2-(2-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 2-(2-chlorophenyl)quinoline-4-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 2-(2-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(2-chlorophenyl)-4-quinolinecarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-(2-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(2-chlorophenyl)cinchoninic acid (4-tert-butylbenzyl) ester Formula: C27H24ClNO2 MolecularWeight: 429.93796

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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=CC=C4Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl

InChI

InChI=1S/C27H24ClNO2/c1-27(2,3)19-14-12-18(13-15-19)17-31-26(30)22-16-25(21-9-4-6-10-23(21)28)29-24-11-7-5-8-20(22)24/h4-16H,17H2,1-3H3