ethyl 4-[3-[(3-bromanylphenoxy)methyl]-4-methoxy-phenyl]-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 4-[3-[(3-bromanylphenoxy)methyl]-4-methoxy-phenyl]-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: ethyl 4-[3-[(3-bromophenoxy)methyl]-4-methoxy-phenyl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-[3-[(3-bromophenoxy)methyl]-4-methoxyphenyl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(3-bromophenoxy)methyl]-4-methoxyphenyl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-[3-[(3-bromophenoxy)methyl]-4-methoxy-phenyl]-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester Formula: C27H28BrNO5 MolecularWeight: 526.41892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CCCC(=O)C2C1C3=CC(=C(C=C3)OC)COC4=CC(=CC=C4)Br)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CCCC(=O)C2C1C3=CC(=C(C=C3)OC)COC4=CC(=CC=C4)Br)C

InChI

InChI=1S/C27H28BrNO5/c1-4-33-27(31)24-16(2)29-21-9-6-10-22(30)26(21)25(24)17-11-12-23(32-3)18(13-17)15-34-20-8-5-7-19(28)14-20/h5,7-9,11-14,25-26,29H,4,6,10,15H2,1-3H3