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

Systemtic Name: pentyl (4S)-4-(4-acetyloxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: pentyl (4S)-4-(4-acetoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(4-acetyloxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4S)-4-(4-acetyloxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(4-acetoxyphenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid amyl ester Formula: C26H33NO5 MolecularWeight: 439.54392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33NO5/c1-6-7-8-13-31-25(30)22-16(2)27-20-14-26(4,5)15-21(29)24(20)23(22)18-9-11-19(12-10-18)32-17(3)28/h9-12,23,27H,6-8,13-15H2,1-5H3/t23-/m1/s1