pentyl (4R)-2,7,7-trimethyl-5-oxidanylidene-4-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: pentyl (4R)-2,7,7-trimethyl-5-oxidanylidene-4-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: pentyl (4R)-2,7,7-trimethyl-5-oxo-4-(2-pyridyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-2,7,7-trimethyl-5-oxo-4-(2-pyridinyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4R)-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-5-keto-2,7,7-trimethyl-4-(2-pyridyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid amyl ester Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=N3)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCCCCOC(=O)C1=C(NC2=C([C@H]1C3=CC=CC=N3)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C23H30N2O3/c1-5-6-9-12-28-22(27)19-15(2)25-17-13-23(3,4)14-18(26)20(17)21(19)16-10-7-8-11-24-16/h7-8,10-11,21,25H,5-6,9,12-14H2,1-4H3/t21-/m0/s1