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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC=CC=N3

Isomeric SMILES

CCCCCOC(=O)C1[C@@H](C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC=CC=N3

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/h7-8,10-11,19,21H,5-6,9,12-14H2,1-4H3/t19?,21-/m0/s1