propyl (4S)-4-(3-methoxy-4-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: propyl (4S)-4-(3-methoxy-4-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: propyl (4S)-4-(4-hydroxy-3-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid propyl ester IUPAC Name: propyl (4S)-4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(4-hydroxy-3-methoxy-phenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid propyl ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)O)OC)C(=O)CC(C2)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO5/c1-6-9-29-22(27)19-13(2)24-15-11-23(3,4)12-17(26)21(15)20(19)14-7-8-16(25)18(10-14)28-5/h7-8,10,20,24-25H,6,9,11-12H2,1-5H3/t20-/m1/s1