cyclohexyl (4S)-4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: cyclohexyl (4S)-4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclohexyl (4S)-4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (4S)-4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-4-(4-methoxyphenyl)-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC3CCCCC3)C4=CC=C(C=C4)OC)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OC3CCCCC3)C4=CC=C(C=C4)OC)C(=O)CC(C2)(C)C

InChI

InChI=1S/C26H33NO4/c1-16-22(25(29)31-19-8-6-5-7-9-19)23(17-10-12-18(30-4)13-11-17)24-20(27-16)14-26(2,3)15-21(24)28/h10-13,19,22-23H,5-9,14-15H2,1-4H3/t22?,23-/m1/s1