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

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

Systemtic Name:methyl (4S)-4-(3-methoxy-4-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate
Openeye Name:methyl (4S)-4-(4-hydroxy-3-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate
CAS Name:(4S)-4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester
IUPAC Name:methyl (4S)-4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate
Traditional Name:(4S)-4-(4-hydroxy-3-methoxy-phenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester
Formula: C21H25NO5
MolecularWeight: 371.4269
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H25NO5/c1-11-17(20(25)27-5)18(12-6-7-14(23)16(8-12)26-4)19-13(22-11)9-21(2,3)10-15(19)24/h6-8,17-18,23H,9-10H2,1-5H3/t17?,18-/m1/s1


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