2-methoxyethyl (4S,4aR)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: 2-methoxyethyl (4S,4aR)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-methoxyethyl (4S,4aR)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,4aR)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4S,4aR)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,4aR)-4-(2,5-dimethoxyphenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid 2-methoxyethyl ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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