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

Systemtic Name: quinolin-5-yl (3S,5S)-3,5-ditert-butylcyclohexane-1-carboxylate Openeye Name: 5-quinolyl (3S,5S)-3,5-ditert-butylcyclohexanecarboxylate CAS Name: (3S,5S)-3,5-ditert-butyl-1-cyclohexanecarboxylic acid 5-quinolinyl ester IUPAC Name: quinolin-5-yl (3S,5S)-3,5-ditert-butylcyclohexane-1-carboxylate Traditional Name: (3S,5S)-3,5-ditert-butylcyclohexanecarboxylic acid 5-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=C2C=CC=N3

Isomeric SMILES

CC(C)(C)[C@H]1C[C@@H](CC(C1)C(=O)OC2=CC=CC3=C2C=CC=N3)C(C)(C)C

InChI

InChI=1S/C24H33NO2/c1-23(2,3)17-13-16(14-18(15-17)24(4,5)6)22(26)27-21-11-7-10-20-19(21)9-8-12-25-20/h7-12,16-18H,13-15H2,1-6H3/t17-,18-/m1/s1