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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCC3=CC=CC=C3)C4=CC=C(C=C4)Br)C(=O)CC(C2)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCC3=CC=CC=C3)C4=CC=C(C=C4)Br)C(=O)C[C@@H](C2)C5=CC=CC=C5

InChI

InChI=1S/C31H28BrNO3/c1-20-28(31(35)36-17-16-21-8-4-2-5-9-21)29(23-12-14-25(32)15-13-23)30-26(33-20)18-24(19-27(30)34)22-10-6-3-7-11-22/h2-15,24,28-29H,16-19H2,1H3/t24-,28?,29-/m1/s1