(phenylmethyl) 11-[3-methyl-5-[(E)-pent-1-enyl]furan-2-yl]undec-10-ynoate

Systemtic Name: (phenylmethyl) 11-[3-methyl-5-[(E)-pent-1-enyl]furan-2-yl]undec-10-ynoate Openeye Name: benzyl 11-[3-methyl-5-[(E)-pent-1-enyl]-2-furyl]undec-10-ynoate CAS Name: 11-[3-methyl-5-[(E)-pent-1-enyl]-2-furanyl]-10-undecynoic acid (phenylmethyl) ester IUPAC Name: benzyl 11-[3-methyl-5-[(E)-pent-1-enyl]furan-2-yl]undec-10-ynoate Traditional Name: 11-[3-methyl-5-[(E)-pent-1-enyl]-2-furyl]undec-10-ynoic acid benzyl ester Formula: C28H36O3 MolecularWeight: 420.58364

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC1=CC(=C(O1)C#CCCCCCCCCC(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCC/C=C/C1=CC(=C(O1)C#CCCCCCCCCC(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C28H36O3/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/h11-14,17-19,22H,3-10,16,21,23H2,1-2H3/b19-12+