quinolin-8-yl (3S,5S)-3,5-ditert-butylcyclohexane-1-carboxylate

Systemtic Name: quinolin-8-yl (3S,5S)-3,5-ditert-butylcyclohexane-1-carboxylate Openeye Name: 8-quinolyl (3S,5S)-3,5-ditert-butylcyclohexanecarboxylate CAS Name: (3S,5S)-3,5-ditert-butyl-1-cyclohexanecarboxylic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl (3S,5S)-3,5-ditert-butylcyclohexane-1-carboxylate Traditional Name: (3S,5S)-3,5-ditert-butylcyclohexanecarboxylic acid 8-quinolyl ester Formula: C24H33NO2 MolecularWeight: 367.52432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC(CC(C1)C(C)(C)C)C(=O)OC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C)(C)[C@H]1C[C@@H](CC(C1)C(=O)OC2=CC=CC3=C2N=CC=C3)C(C)(C)C

InChI

InChI=1S/C24H33NO2/c1-23(2,3)18-13-17(14-19(15-18)24(4,5)6)22(26)27-20-11-7-9-16-10-8-12-25-21(16)20/h7-12,17-19H,13-15H2,1-6H3/t18-,19-/m1/s1