(2-methylquinolin-8-yl) 4-tert-butylbenzoate

Systemtic Name: (2-methylquinolin-8-yl) 4-tert-butylbenzoate Openeye Name: (2-methyl-8-quinolyl) 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (2-methyl-8-quinolyl) ester Formula: C21H21NO2 MolecularWeight: 319.39694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC(=O)C3=CC=C(C=C3)C(C)(C)C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC(=O)C3=CC=C(C=C3)C(C)(C)C)C=C1

InChI

InChI=1S/C21H21NO2/c1-14-8-9-15-6-5-7-18(19(15)22-14)24-20(23)16-10-12-17(13-11-16)21(2,3)4/h5-13H,1-4H3