ethyl (4S,7S)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: ethyl (4S,7S)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: ethyl (4S,7S)-4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7S)-4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,7S)-4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7S)-4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester Formula: C26H23BrClNO5 MolecularWeight: 544.82152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)Cl)N=C1C)C4=CC5=C(C=C4Br)OCO5

Isomeric SMILES

CCOC(=O)C1[C@@H](C2=C(C[C@@H](CC2=O)C3=CC=C(C=C3)Cl)N=C1C)C4=CC5=C(C=C4Br)OCO5

InChI

InChI=1S/C26H23BrClNO5/c1-3-32-26(31)23-13(2)29-19-8-15(14-4-6-16(28)7-5-14)9-20(30)25(19)24(23)17-10-21-22(11-18(17)27)34-12-33-21/h4-7,10-11,15,23-24H,3,8-9,12H2,1-2H3/t15-,23?,24-/m0/s1