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

Systemtic Name: phenethyl 4-(2-bromophenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: phenethyl 4-(2-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(2-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(2-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(2-bromophenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester Formula: C31H28BrNO3 MolecularWeight: 542.46292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=CC=C4Br)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=CC=C4Br)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C31H28BrNO3/c1-20-28(31(35)36-17-16-21-10-4-2-5-11-21)29(24-14-8-9-15-25(24)32)30-26(33-20)18-23(19-27(30)34)22-12-6-3-7-13-22/h2-15,23,29,33H,16-19H2,1H3