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

Systemtic Name: phenethyl 4-(3-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: phenethyl 4-(3-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(3-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-bromophenyl)-7-(4-chlorophenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester Formula: C31H27BrClNO3 MolecularWeight: 576.90798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H27BrClNO3/c1-19-28(31(36)37-15-14-20-6-3-2-4-7-20)29(22-8-5-9-24(32)16-22)30-26(34-19)17-23(18-27(30)35)21-10-12-25(33)13-11-21/h2-13,16,23,29,34H,14-15,17-18H2,1H3