pentyl (4S)-2-methyl-5-oxidanylidene-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: pentyl (4S)-2-methyl-5-oxidanylidene-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: pentyl (4S)-2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S)-2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4S)-2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S)-5-keto-2-methyl-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid amyl ester Formula: C25H33NO6 MolecularWeight: 443.53262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(NC2=C(C1C3=C(C(=C(C=C3)OC)OC)OC)C(=O)CCC2)C

Isomeric SMILES

CCCCCOC(=O)C1=C(NC2=C([C@@H]1C3=C(C(=C(C=C3)OC)OC)OC)C(=O)CCC2)C

InChI

InChI=1S/C25H33NO6/c1-6-7-8-14-32-25(28)20-15(2)26-17-10-9-11-18(27)22(17)21(20)16-12-13-19(29-3)24(31-5)23(16)30-4/h12-13,21,26H,6-11,14H2,1-5H3/t21-/m1/s1