(2,6-ditert-butyl-4-methyl-phenyl) (1S,2S)-2-(4-fluorophenyl)cyclopropane-1-carboxylate

Systemtic Name: (2,6-ditert-butyl-4-methyl-phenyl) (1S,2S)-2-(4-fluorophenyl)cyclopropane-1-carboxylate Openeye Name: (2,6-ditert-butyl-4-methyl-phenyl) (1S,2S)-2-(4-fluorophenyl)cyclopropanecarboxylate CAS Name: (1S,2S)-2-(4-fluorophenyl)-1-cyclopropanecarboxylic acid (2,6-ditert-butyl-4-methylphenyl) ester IUPAC Name: (2,6-ditert-butyl-4-methylphenyl) (1S,2S)-2-(4-fluorophenyl)cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-(4-fluorophenyl)cyclopropanecarboxylic acid (2,6-ditert-butyl-4-methyl-phenyl) ester Formula: C25H31FO2 MolecularWeight: 382.510843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)OC(=O)C2CC2C3=CC=C(C=C3)F)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)OC(=O)[C@H]2C[C@@H]2C3=CC=C(C=C3)F)C(C)(C)C

InChI

InChI=1S/C25H31FO2/c1-15-12-20(24(2,3)4)22(21(13-15)25(5,6)7)28-23(27)19-14-18(19)16-8-10-17(26)11-9-16/h8-13,18-19H,14H2,1-7H3/t18-,19+/m1/s1