3-phenylpropyl 4-cyclohexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanoate

Systemtic Name: 3-phenylpropyl 4-cyclohexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanoate Openeye Name: 3-phenylpropyl 4-cyclohexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanoate CAS Name: 4-cyclohexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-cyclohexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanoate Traditional Name: 4-cyclohexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyric acid 3-phenylpropyl ester Formula: C25H39BO4 MolecularWeight: 414.38576

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Descriptors Computed from Structure

Canonical SMILES:

B1(OC(C(O1)(C)C)(C)C)C(CCC(=O)OCCCC2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

B1(OC(C(O1)(C)C)(C)C)C(CCC(=O)OCCCC2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C25H39BO4/c1-24(2)25(3,4)30-26(29-24)22(21-15-9-6-10-16-21)17-18-23(27)28-19-11-14-20-12-7-5-8-13-20/h5,7-8,12-13,21-22H,6,9-11,14-19H2,1-4H3