propyl (4S)-2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: propyl (4S)-2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: propyl (4S)-2,7,7-trimethyl-4-(5-methyl-2-furyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-4-(5-methyl-2-furanyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid propyl ester IUPAC Name: propyl (4S)-2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(5-methyl-2-furyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid propyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(NC2=C(C1C3=CC=C(O3)C)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=C(O3)C)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C21H27NO4/c1-6-9-25-20(24)17-13(3)22-14-10-21(4,5)11-15(23)18(14)19(17)16-8-7-12(2)26-16/h7-8,19,22H,6,9-11H2,1-5H3/t19-/m1/s1