[(2S)-oxolan-2-yl]methyl (4S,4aS)-4-(4-fluorophenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: [(2S)-oxolan-2-yl]methyl (4S,4aS)-4-(4-fluorophenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: [(2S)-tetrahydrofuran-2-yl]methyl (4S,4aS)-4-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S,4aS)-4-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid [(2S)-2-oxolanyl]methyl ester IUPAC Name: [(2S)-oxolan-2-yl]methyl (4S,4aS)-4-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S,4aS)-4-(4-fluorophenyl)-5-keto-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid [(2S)-tetrahydrofuran-2-yl]methyl ester Formula: C24H28FNO4 MolecularWeight: 413.481823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)F)C(=O)OCC4CCCO4

Isomeric SMILES

CC1=C([C@@H]([C@H]2C(=N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)F)C(=O)OC[C@@H]4CCCO4

InChI

InChI=1S/C24H28FNO4/c1-14-20(23(28)30-13-17-5-4-10-29-17)21(15-6-8-16(25)9-7-15)22-18(26-14)11-24(2,3)12-19(22)27/h6-9,17,21-22H,4-5,10-13H2,1-3H3/t17-,21-,22-/m0/s1