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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C(C2C(=O)CC(C=C2N=C1C)(C)C)C3=CN=CC=C3

Isomeric SMILES

CCCCOC(=O)C1[C@H]([C@@H]2C(=O)CC(C=C2N=C1C)(C)C)C3=CN=CC=C3

InChI

InChI=1S/C22H28N2O3/c1-5-6-10-27-21(26)18-14(2)24-16-11-22(3,4)12-17(25)20(16)19(18)15-8-7-9-23-13-15/h7-9,11,13,18-20H,5-6,10,12H2,1-4H3/t18?,19-,20+/m1/s1