phenethyl 4-(2-bromanyl-4,5-dimethoxy-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: phenethyl 4-(2-bromanyl-4,5-dimethoxy-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: phenethyl 4-(2-bromo-4,5-dimethoxy-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(2-bromo-4,5-dimethoxy-phenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester Formula: C27H28BrNO5 MolecularWeight: 526.41892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3Br)OC)OC)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3Br)OC)OC)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C27H28BrNO5/c1-16-24(27(31)34-13-12-17-8-5-4-6-9-17)25(26-20(29-16)10-7-11-21(26)30)18-14-22(32-2)23(33-3)15-19(18)28/h4-6,8-9,14-15,25,29H,7,10-13H2,1-3H3