butyl (4S,4aR)-2-methyl-5-oxidanylidene-4-pyridin-3-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: butyl (4S,4aR)-2-methyl-5-oxidanylidene-4-pyridin-3-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: butyl (4S,4aR)-2-methyl-5-oxo-4-(3-pyridyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,4aR)-2-methyl-5-oxo-4-(3-pyridinyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid butyl ester IUPAC Name: butyl (4S,4aR)-2-methyl-5-oxo-4-pyridin-3-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,4aR)-5-keto-2-methyl-4-(3-pyridyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid butyl ester Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(N=C2CCCC(=O)C2C1C3=CN=CC=C3)C

Isomeric SMILES

CCCCOC(=O)C1=C(N=C2CCCC(=O)[C@@H]2[C@H]1C3=CN=CC=C3)C

InChI

InChI=1S/C20H24N2O3/c1-3-4-11-25-20(24)17-13(2)22-15-8-5-9-16(23)19(15)18(17)14-7-6-10-21-12-14/h6-7,10,12,18-19H,3-5,8-9,11H2,1-2H3/t18-,19+/m0/s1