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

Systemtic Name: butyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-(2-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: butyl (4S)-2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester IUPAC Name: butyl (4S)-2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(2-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester Formula: C26H35NO4 MolecularWeight: 425.5604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OCCC)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=CC=C3OCCC)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C26H35NO4/c1-6-8-14-31-25(29)22-17(3)27-19-15-26(4,5)16-20(28)24(19)23(22)18-11-9-10-12-21(18)30-13-7-2/h9-12,23,27H,6-8,13-16H2,1-5H3/t23-/m1/s1