pentyl (4S)-4-(3-bromanyl-4-methoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: pentyl (4S)-4-(3-bromanyl-4-methoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: pentyl (4S)-4-(3-bromo-4-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(3-bromo-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4S)-4-(3-bromo-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(3-bromo-4-methoxy-phenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid amyl ester Formula: C25H32BrNO4 MolecularWeight: 490.42988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32BrNO4/c1-6-7-8-11-31-24(29)21-15(2)27-18-13-25(3,4)14-19(28)23(18)22(21)16-9-10-20(30-5)17(26)12-16/h9-10,12,22,27H,6-8,11,13-14H2,1-5H3/t22-/m1/s1