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

Systemtic Name: 2-propan-2-yloxyethyl (4S)-4-(4-methoxy-3-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-isopropoxyethyl (4S)-4-(3-hydroxy-4-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-propan-2-yloxyethyl ester IUPAC Name: 2-propan-2-yloxyethyl (4S)-4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(3-hydroxy-4-methoxy-phenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-isopropoxyethyl ester Formula: C25H33NO6 MolecularWeight: 443.53262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCOC(C)C)C3=CC(=C(C=C3)OC)O)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCOC(C)C)C3=CC(=C(C=C3)OC)O)C(=O)CC(C2)(C)C

InChI

InChI=1S/C25H33NO6/c1-14(2)31-9-10-32-24(29)21-15(3)26-17-12-25(4,5)13-19(28)23(17)22(21)16-7-8-20(30-6)18(27)11-16/h7-8,11,14,21-22,27H,9-10,12-13H2,1-6H3/t21?,22-/m1/s1