(3-phenoxyphenyl)methyl 2-heptoxy-3-methyl-butanoate

Systemtic Name: (3-phenoxyphenyl)methyl 2-heptoxy-3-methyl-butanoate Openeye Name: (3-phenoxyphenyl)methyl 2-heptoxy-3-methyl-butanoate CAS Name: 2-heptoxy-3-methylbutanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-heptoxy-3-methylbutanoate Traditional Name: 2-heptoxy-3-methyl-butyric acid (3-phenoxybenzyl) ester Formula: C25H34O4 MolecularWeight: 398.53506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(C(C)C)C(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCCOC(C(C)C)C(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C25H34O4/c1-4-5-6-7-11-17-27-24(20(2)3)25(26)28-19-21-13-12-16-23(18-21)29-22-14-9-8-10-15-22/h8-10,12-16,18,20,24H,4-7,11,17,19H2,1-3H3