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

Systemtic Name: 2-ethoxyethyl (4S,4aS)-4-(3-methoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-ethoxyethyl (4S,4aS)-4-(4-hydroxy-3-methoxy-phenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,4aS)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (4S,4aS)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,4aS)-4-(4-hydroxy-3-methoxy-phenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid 2-ethoxyethyl ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C1C(C2C(=O)CCC=C2N=C1C)C3=CC(=C(C=C3)O)OC

Isomeric SMILES

CCOCCOC(=O)C1[C@H]([C@@H]2C(=O)CCC=C2N=C1C)C3=CC(=C(C=C3)O)OC

InChI

InChI=1S/C22H27NO6/c1-4-28-10-11-29-22(26)19-13(2)23-15-6-5-7-17(25)21(15)20(19)14-8-9-16(24)18(12-14)27-3/h6,8-9,12,19-21,24H,4-5,7,10-11H2,1-3H3/t19?,20-,21+/m1/s1