quinolin-8-yl (1S,4R)-1,7,7-trimethyl-2-oxidanylidene-bicyclo[2.2.1]heptane-4-carboxylate

Systemtic Name: quinolin-8-yl (1S,4R)-1,7,7-trimethyl-2-oxidanylidene-bicyclo[2.2.1]heptane-4-carboxylate Openeye Name: 8-quinolyl (1R,4S)-4,7,7-trimethyl-3-oxo-norbornane-1-carboxylate CAS Name: (1S,4R)-1,7,7-trimethyl-2-oxo-4-bicyclo[2.2.1]heptanecarboxylic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl (1S,4R)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-4-carboxylate Traditional Name: (1R,4S)-3-keto-4,7,7-trimethyl-norbornane-1-carboxylic acid 8-quinolyl ester Formula: C20H21NO3 MolecularWeight: 323.38564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(CCC1(CC2=O)C(=O)OC3=CC=CC4=C3N=CC=C4)C)C

Isomeric SMILES

C[C@]12CC[C@](C1(C)C)(CC2=O)C(=O)OC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C20H21NO3/c1-18(2)19(3)9-10-20(18,12-15(19)22)17(23)24-14-8-4-6-13-7-5-11-21-16(13)14/h4-8,11H,9-10,12H2,1-3H3/t19-,20+/m1/s1