butyl (4S)-4-(4-dimethylaminophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: butyl (4S)-4-(4-dimethylaminophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: butyl (4S)-4-(4-dimethylaminophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(4-dimethylaminophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester IUPAC Name: butyl (4S)-4-(4-dimethylaminophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(4-dimethylaminophenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester Formula: C25H34N2O3 MolecularWeight: 410.54906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)N(C)C)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=C(C=C3)N(C)C)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C25H34N2O3/c1-7-8-13-30-24(29)21-16(2)26-19-14-25(3,4)15-20(28)23(19)22(21)17-9-11-18(12-10-17)27(5)6/h9-12,22,26H,7-8,13-15H2,1-6H3/t22-/m1/s1