(3,3-dimethyl-2-oxidanylidene-butyl) (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H19NO3 MolecularWeight: 297.34836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C=CC1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)/C=C/C1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C18H19NO3/c1-18(2,3)16(20)12-22-17(21)11-10-14-9-8-13-6-4-5-7-15(13)19-14/h4-11H,12H2,1-3H3/b11-10+