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

Systemtic Name: ethyl (4S,4aS)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: ethyl (4S,4aS)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,4aS)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,4aS)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,4aS)-4-(3,4-dimethoxyphenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5/c1-5-27-21(24)18-12(2)22-14-7-6-8-15(23)20(14)19(18)13-9-10-16(25-3)17(11-13)26-4/h7,9-11,18-20H,5-6,8H2,1-4H3/t18?,19-,20+/m1/s1