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

Systemtic Name: (phenylmethyl) (4S,7R)-4-(4-bromophenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: benzyl (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 (phenylmethyl) ester IUPAC Name: benzyl (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 benzyl ester Formula: C30H26BrNO3 MolecularWeight: 528.43634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCC3=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)OCC3=CC=CC=C3)C4=CC=C(C=C4)Br)C(=O)C[C@@H](C2)C5=CC=CC=C5

InChI

InChI=1S/C30H26BrNO3/c1-19-27(30(34)35-18-20-8-4-2-5-9-20)28(22-12-14-24(31)15-13-22)29-25(32-19)16-23(17-26(29)33)21-10-6-3-7-11-21/h2-15,23,27-28H,16-18H2,1H3/t23-,27?,28-/m1/s1