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

Systemtic Name: propyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-pyridin-2-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: propyl (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 propyl ester IUPAC Name: propyl (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 propyl ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-5-10-26-20(25)17-13(2)23-15-11-21(3,4)12-16(24)18(15)19(17)14-8-6-7-9-22-14/h6-9,17,19H,5,10-12H2,1-4H3/t17?,19-/m0/s1