(phenylmethyl) 11-(3-methyl-5-pentyl-furan-2-yl)undecanoate

Systemtic Name: (phenylmethyl) 11-(3-methyl-5-pentyl-furan-2-yl)undecanoate Openeye Name: benzyl 11-(3-methyl-5-pentyl-2-furyl)undecanoate CAS Name: 11-(3-methyl-5-pentyl-2-furanyl)undecanoic acid (phenylmethyl) ester IUPAC Name: benzyl 11-(3-methyl-5-pentylfuran-2-yl)undecanoate Traditional Name: 11-(5-amyl-3-methyl-2-furyl)undecanoic acid benzyl ester Formula: C28H42O3 MolecularWeight: 426.63128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(O1)CCCCCCCCCCC(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCCCCC1=CC(=C(O1)CCCCCCCCCCC(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C28H42O3/c1-3-4-12-19-26-22-24(2)27(31-26)20-15-9-7-5-6-8-10-16-21-28(29)30-23-25-17-13-11-14-18-25/h11,13-14,17-18,22H,3-10,12,15-16,19-21,23H2,1-2H3