propan-2-yl (4S,4aS)-4-(3,5-dimethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: propan-2-yl (4S,4aS)-4-(3,5-dimethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: isopropyl (4S,4aS)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,4aS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4S,4aS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,4aS)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid isopropyl ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=N1)CCCC2=O)C3=CC(=C(C(=C3)OC)O)OC)C(=O)OC(C)C

Isomeric SMILES

CC1=C([C@@H]([C@H]2C(=N1)CCCC2=O)C3=CC(=C(C(=C3)OC)O)OC)C(=O)OC(C)C

InChI

InChI=1S/C22H27NO6/c1-11(2)29-22(26)18-12(3)23-14-7-6-8-15(24)20(14)19(18)13-9-16(27-4)21(25)17(10-13)28-5/h9-11,19-20,25H,6-8H2,1-5H3/t19-,20-/m0/s1