cycloheptyl (4S,4aR)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: cycloheptyl (4S,4aR)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: cycloheptyl (4S,4aR)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,4aR)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl (4S,4aR)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,4aR)-4-(2,5-dimethoxyphenyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cycloheptyl ester Formula: C26H33NO5 MolecularWeight: 439.54392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=N1)CCCC2=O)C3=C(C=CC(=C3)OC)OC)C(=O)OC4CCCCCC4

Isomeric SMILES

CC1=C([C@@H]([C@@H]2C(=N1)CCCC2=O)C3=C(C=CC(=C3)OC)OC)C(=O)OC4CCCCCC4

InChI

InChI=1S/C26H33NO5/c1-16-23(26(29)32-17-9-6-4-5-7-10-17)24(25-20(27-16)11-8-12-21(25)28)19-15-18(30-2)13-14-22(19)31-3/h13-15,17,24-25H,4-12H2,1-3H3/t24-,25+/m0/s1