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

Systemtic Name: pentyl (4S)-4-(2-bromanyl-4,5-dimethoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: pentyl (4S)-4-(2-bromo-4,5-dimethoxy-phenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(2-bromo-4,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4S)-4-(2-bromo-4,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(2-bromo-4,5-dimethoxy-phenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid amyl ester Formula: C26H34BrNO5 MolecularWeight: 520.45586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CCCCCOC(=O)C1[C@@H](C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C26H34BrNO5/c1-7-8-9-10-33-25(30)22-15(2)28-18-13-26(3,4)14-19(29)24(18)23(22)16-11-20(31-5)21(32-6)12-17(16)27/h11-12,22-23H,7-10,13-14H2,1-6H3/t22?,23-/m0/s1