methyl (4S,4aR,7S)-4-(3-methoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: methyl (4S,4aR,7S)-4-(3-methoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: methyl (4S,4aR,7S)-4-(4-hydroxy-3-methoxy-phenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,4aR,7S)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S,4aR,7S)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,4aR,7S)-4-(4-hydroxy-3-methoxy-phenyl)-5-keto-2-methyl-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester Formula: C25H25NO5 MolecularWeight: 419.4697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(CC(=O)C2C(C1C(=O)OC)C3=CC(=C(C=C3)O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C[C@H](CC(=O)[C@@H]2[C@@H](C1C(=O)OC)C3=CC(=C(C=C3)O)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H25NO5/c1-14-22(25(29)31-3)23(16-9-10-19(27)21(13-16)30-2)24-18(26-14)11-17(12-20(24)28)15-7-5-4-6-8-15/h4-11,13,17,22-24,27H,12H2,1-3H3/t17-,22?,23-,24-/m1/s1