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

Systemtic Name: (2,6-ditert-butyl-4-methoxy-phenyl) (1R,2S)-2-phenylcyclopentane-1-carboxylate Openeye Name: (2,6-ditert-butyl-4-methoxy-phenyl) (1R,2S)-2-phenylcyclopentanecarboxylate CAS Name: (1R,2S)-2-phenyl-1-cyclopentanecarboxylic acid (2,6-ditert-butyl-4-methoxyphenyl) ester IUPAC Name: (2,6-ditert-butyl-4-methoxyphenyl) (1R,2S)-2-phenylcyclopentane-1-carboxylate Traditional Name: (1R,2S)-2-phenylcyclopentanecarboxylic acid (2,6-ditert-butyl-4-methoxy-phenyl) ester Formula: C27H36O3 MolecularWeight: 408.57294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC(=O)C2CCCC2C3=CC=CC=C3)C(C)(C)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H36O3/c1-26(2,3)22-16-19(29-7)17-23(27(4,5)6)24(22)30-25(28)21-15-11-14-20(21)18-12-9-8-10-13-18/h8-10,12-13,16-17,20-21H,11,14-15H2,1-7H3/t20-,21-/m1/s1