ethyl 4-(4-methoxy-3-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 4-(4-methoxy-3-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 4-(3-hydroxy-4-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(3-hydroxy-4-methoxy-phenyl)-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC(=C(C=C3)OC)O)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC(=C(C=C3)OC)O)(C)C)C

InChI

InChI=1S/C22H27NO5/c1-6-28-21(26)18-12(2)23-14-10-22(3,4)11-16(25)20(14)19(18)13-7-8-17(27-5)15(24)9-13/h7-10,19-20,23-24H,6,11H2,1-5H3