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

Systemtic Name: butyl (4S)-4-(4-ethoxy-3-methoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: butyl (4S)-4-(4-ethoxy-3-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester IUPAC Name: butyl (4S)-4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(4-ethoxy-3-methoxy-phenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester Formula: C26H35NO5 MolecularWeight: 441.5598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO5/c1-7-9-12-32-25(29)22-16(3)27-18-14-26(4,5)15-19(28)24(18)23(22)17-10-11-20(31-8-2)21(13-17)30-6/h10-11,13,23,27H,7-9,12,14-15H2,1-6H3/t23-/m1/s1