tert-butyl (E)-3-(2-phenylquinolin-4-yl)prop-2-enoate

Systemtic Name: tert-butyl (E)-3-(2-phenylquinolin-4-yl)prop-2-enoate Openeye Name: tert-butyl (E)-3-(2-phenyl-4-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-phenyl-4-quinolinyl)-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-(2-phenylquinolin-4-yl)prop-2-enoate Traditional Name: (E)-3-(2-phenyl-4-quinolyl)acrylic acid tert-butyl ester Formula: C22H21NO2 MolecularWeight: 331.40764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=CC1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO2/c1-22(2,3)25-21(24)14-13-17-15-20(16-9-5-4-6-10-16)23-19-12-8-7-11-18(17)19/h4-15H,1-3H3/b14-13+