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

Systemtic Name: butyl (4S)-4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: butyl (4S)-4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester IUPAC Name: butyl (4S)-4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(4-ethylphenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester Formula: C25H33NO3 MolecularWeight: 395.53442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO3/c1-6-8-13-29-24(28)21-16(3)26-19-14-25(4,5)15-20(27)23(19)22(21)18-11-9-17(7-2)10-12-18/h9-12,22,26H,6-8,13-15H2,1-5H3/t22-/m1/s1