(5-chloranylquinolin-8-yl) 4-tert-butylbenzoate

Systemtic Name: (5-chloranylquinolin-8-yl) 4-tert-butylbenzoate Openeye Name: (5-chloro-8-quinolyl) 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid (5-chloro-8-quinolinyl) ester IUPAC Name: (5-chloroquinolin-8-yl) 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (5-chloro-8-quinolyl) ester Formula: C20H18ClNO2 MolecularWeight: 339.81542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3

InChI

InChI=1S/C20H18ClNO2/c1-20(2,3)14-8-6-13(7-9-14)19(23)24-17-11-10-16(21)15-5-4-12-22-18(15)17/h4-12H,1-3H3