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

Systemtic Name: butyl (4S,4aR)-2,7,7-trimethyl-5-oxidanylidene-4-pyridin-2-yl-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: butyl (4S,4aR)-2,7,7-trimethyl-5-oxo-4-(2-pyridyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S,4aR)-2,7,7-trimethyl-5-oxo-4-(2-pyridinyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester IUPAC Name: butyl (4S,4aR)-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S,4aR)-5-keto-2,7,7-trimethyl-4-(2-pyridyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(N=C2CC(CC(=O)C2C1C3=CC=CC=N3)(C)C)C

Isomeric SMILES

CCCCOC(=O)C1=C(N=C2CC(CC(=O)[C@@H]2[C@@H]1C3=CC=CC=N3)(C)C)C

InChI

InChI=1S/C22H28N2O3/c1-5-6-11-27-21(26)18-14(2)24-16-12-22(3,4)13-17(25)19(16)20(18)15-9-7-8-10-23-15/h7-10,19-20H,5-6,11-13H2,1-4H3/t19-,20-/m1/s1