ethyl (4R,4aS)-2-methyl-5-oxidanylidene-4-pyridin-2-yl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: ethyl (4R,4aS)-2-methyl-5-oxidanylidene-4-pyridin-2-yl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: ethyl (4R,4aS)-2-methyl-5-oxo-4-(2-pyridyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,4aS)-2-methyl-5-oxo-4-(2-pyridinyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,4aS)-2-methyl-5-oxo-4-pyridin-2-yl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,4aS)-5-keto-2-methyl-4-(2-pyridyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2C(=O)CCC=C2N=C1C)C3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1[C@@H]([C@@H]2C(=O)CCC=C2N=C1C)C3=CC=CC=N3

InChI

InChI=1S/C18H20N2O3/c1-3-23-18(22)15-11(2)20-13-8-6-9-14(21)16(13)17(15)12-7-4-5-10-19-12/h4-5,7-8,10,15-17H,3,6,9H2,1-2H3/t15?,16-,17-/m0/s1