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

Systemtic Name: 2-methylpropyl (4S,7R)-4-(3-bromanyl-4-methoxy-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: isobutyl (4S,7R)-4-(3-bromo-4-methoxy-phenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (4S,7R)-4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(3-bromo-4-methoxy-phenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid isobutyl ester Formula: C28H30BrNO4 MolecularWeight: 524.4461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCC(C)C)C3=CC(=C(C=C3)OC)Br)C(=O)CC(C2)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H30BrNO4/c1-16(2)15-34-28(32)25-17(3)30-22-13-20(18-8-6-5-7-9-18)14-23(31)27(22)26(25)19-10-11-24(33-4)21(29)12-19/h5-12,16,20,25-26H,13-15H2,1-4H3/t20-,25?,26-/m1/s1