oxan-2-yl 4-[1-(2,2-dimethylbutanoyloxy)-1-phenyl-ethyl]benzoate

Systemtic Name: oxan-2-yl 4-[1-(2,2-dimethylbutanoyloxy)-1-phenyl-ethyl]benzoate Openeye Name: tetrahydropyran-2-yl 4-[1-(2,2-dimethylbutanoyloxy)-1-phenyl-ethyl]benzoate CAS Name: 4-[1-(2,2-dimethyl-1-oxobutoxy)-1-phenylethyl]benzoic acid 2-oxanyl ester IUPAC Name: oxan-2-yl 4-[1-(2,2-dimethylbutanoyloxy)-1-phenylethyl]benzoate Traditional Name: 4-[1-(2,2-dimethylbutanoyloxy)-1-phenyl-ethyl]benzoic acid tetrahydropyran-2-yl ester Formula: C26H32O5 MolecularWeight: 424.52928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)C(=O)OC3CCCCO3

Isomeric SMILES

CCC(C)(C)C(=O)OC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)C(=O)OC3CCCCO3

InChI

InChI=1S/C26H32O5/c1-5-25(2,3)24(28)31-26(4,20-11-7-6-8-12-20)21-16-14-19(15-17-21)23(27)30-22-13-9-10-18-29-22/h6-8,11-12,14-17,22H,5,9-10,13,18H2,1-4H3