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

Systemtic Name: pentyl (4S)-4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: pentyl (4S)-4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4S)-4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(2-butoxyphenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid amyl ester Formula: C28H39NO4 MolecularWeight: 453.61356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OCCCC)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCCCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=CC=C3OCCCC)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C28H39NO4/c1-6-8-12-16-33-27(31)24-19(3)29-21-17-28(4,5)18-22(30)26(21)25(24)20-13-10-11-14-23(20)32-15-9-7-2/h10-11,13-14,25,29H,6-9,12,15-18H2,1-5H3/t25-/m1/s1