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

Systemtic Name: ethyl (4S)-4-(3-methoxy-2-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl (4S)-4-(2-hydroxy-3-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(2-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(2-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(2-hydroxy-3-methoxy-phenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=C(C(=CC=C3)OC)O

Isomeric SMILES

CCOC(=O)C1[C@H](C2=C(CC(CC2=O)(C)C)N=C1C)C3=C(C(=CC=C3)OC)O

InChI

InChI=1S/C22H27NO5/c1-6-28-21(26)17-12(2)23-14-10-22(3,4)11-15(24)19(14)18(17)13-8-7-9-16(27-5)20(13)25/h7-9,17-18,25H,6,10-11H2,1-5H3/t17?,18-/m1/s1