(phenylmethyl) 7-(4-tert-butylphenoxy)-2-ethanoyl-heptanoate

Systemtic Name: (phenylmethyl) 7-(4-tert-butylphenoxy)-2-ethanoyl-heptanoate Openeye Name: benzyl 2-acetyl-7-(4-tert-butylphenoxy)heptanoate CAS Name: 2-acetyl-7-(4-tert-butylphenoxy)heptanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-acetyl-7-(4-tert-butylphenoxy)heptanoate Traditional Name: 2-acetyl-7-(4-tert-butylphenoxy)enanthic acid benzyl ester Formula: C26H34O4 MolecularWeight: 410.54576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCCCOC1=CC=C(C=C1)C(C)(C)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)C(CCCCCOC1=CC=C(C=C1)C(C)(C)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C26H34O4/c1-20(27)24(25(28)30-19-21-11-7-5-8-12-21)13-9-6-10-18-29-23-16-14-22(15-17-23)26(2,3)4/h5,7-8,11-12,14-17,24H,6,9-10,13,18-19H2,1-4H3