ethyl (4R)-2-ethyl-7,7-dimethyl-5-oxidanylidene-4-pyridin-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl (4R)-2-ethyl-7,7-dimethyl-5-oxidanylidene-4-pyridin-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl (4R)-2-ethyl-7,7-dimethyl-5-oxo-4-(3-pyridyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-2-ethyl-7,7-dimethyl-5-oxo-4-(3-pyridinyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-2-ethyl-7,7-dimethyl-5-oxo-4-pyridin-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-2-ethyl-5-keto-7,7-dimethyl-4-(3-pyridyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CN=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1=C([C@@H](C2=C(N1)CC(CC2=O)(C)C)C3=CN=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H26N2O3/c1-5-14-19(20(25)26-6-2)17(13-8-7-9-22-12-13)18-15(23-14)10-21(3,4)11-16(18)24/h7-9,12,17,23H,5-6,10-11H2,1-4H3/t17-/m1/s1