methyl (4R,4aR)-2,7,7-trimethyl-5-oxidanylidene-4-pyridin-2-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl (4R,4aR)-2,7,7-trimethyl-5-oxidanylidene-4-pyridin-2-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: methyl (4R,4aR)-2,7,7-trimethyl-5-oxo-4-(2-pyridyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: (4R,4aR)-2,7,7-trimethyl-5-oxo-4-(2-pyridinyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4R,4aR)-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: (4R,4aR)-5-keto-2,7,7-trimethyl-4-(2-pyridyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C19H22N2O3 MolecularWeight: 326.38958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=CC=N3)C(=O)OC

Isomeric SMILES

CC1=C([C@@H]([C@H]2C(=O)CC(C=C2N1)(C)C)C3=CC=CC=N3)C(=O)OC

InChI

InChI=1S/C19H22N2O3/c1-11-15(18(23)24-4)17(12-7-5-6-8-20-12)16-13(21-11)9-19(2,3)10-14(16)22/h5-9,16-17,21H,10H2,1-4H3/t16-,17+/m1/s1