propyl (4S,7R)-4-(3-bromanyl-4-methoxy-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: propyl (4S,7R)-4-(3-bromanyl-4-methoxy-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: propyl (4S,7R)-4-(3-bromo-4-methoxy-phenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid propyl ester IUPAC Name: propyl (4S,7R)-4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(3-bromo-4-methoxy-phenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid propyl ester Formula: C27H28BrNO4 MolecularWeight: 510.41952

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)Br)C(=O)CC(C2)C4=CC=CC=C4)C

Isomeric SMILES

CCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC(=C(C=C3)OC)Br)C(=O)C[C@@H](C2)C4=CC=CC=C4)C

InChI

InChI=1S/C27H28BrNO4/c1-4-12-33-27(31)24-16(2)29-21-14-19(17-8-6-5-7-9-17)15-22(30)26(21)25(24)18-10-11-23(32-3)20(28)13-18/h5-11,13,19,25,29H,4,12,14-15H2,1-3H3/t19-,25-/m1/s1