(2,6-ditert-butyl-4-methoxy-phenyl) (1R,2S)-2-phenylcyclohexane-1-carboxylate

Systemtic Name: (2,6-ditert-butyl-4-methoxy-phenyl) (1R,2S)-2-phenylcyclohexane-1-carboxylate Openeye Name: (2,6-ditert-butyl-4-methoxy-phenyl) (1R,2S)-2-phenylcyclohexanecarboxylate CAS Name: (1R,2S)-2-phenyl-1-cyclohexanecarboxylic acid (2,6-ditert-butyl-4-methoxyphenyl) ester IUPAC Name: (2,6-ditert-butyl-4-methoxyphenyl) (1R,2S)-2-phenylcyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-phenylcyclohexanecarboxylic acid (2,6-ditert-butyl-4-methoxy-phenyl) ester Formula: C28H38O3 MolecularWeight: 422.59952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC(=O)C2CCCCC2C3=CC=CC=C3)C(C)(C)C)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC(=O)[C@@H]2CCCC[C@@H]2C3=CC=CC=C3)C(C)(C)C)OC

InChI

InChI=1S/C28H38O3/c1-27(2,3)23-17-20(30-7)18-24(28(4,5)6)25(23)31-26(29)22-16-12-11-15-21(22)19-13-9-8-10-14-19/h8-10,13-14,17-18,21-22H,11-12,15-16H2,1-7H3/t21-,22-/m1/s1