ethyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-pyridin-4-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-pyridin-4-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl (4S)-2,7,7-trimethyl-5-oxo-4-(4-pyridyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-pyridin-4-yl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2,7,7-trimethyl-5-oxo-4-pyridin-4-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(4-pyridyl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1[C@H](C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC=NC=C3

InChI

InChI=1S/C20H24N2O3/c1-5-25-19(24)16-12(2)22-14-10-20(3,4)11-15(23)18(14)17(16)13-6-8-21-9-7-13/h6-9,16-17H,5,10-11H2,1-4H3/t16?,17-/m1/s1