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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3/c1-5-6-11-27-21(26)18-14(2)24-16-12-22(3,4)13-17(25)20(16)19(18)15-7-9-23-10-8-15/h7-10,18-19H,5-6,11-13H2,1-4H3/t18?,19-/m0/s1