methyl 8-(2-pentoxyphenyl)oct-5-ynoate

Systemtic Name: methyl 8-(2-pentoxyphenyl)oct-5-ynoate Openeye Name: methyl 8-(2-pentoxyphenyl)oct-5-ynoate CAS Name: 8-(2-pentoxyphenyl)-5-octynoic acid methyl ester IUPAC Name: methyl 8-(2-pentoxyphenyl)oct-5-ynoate Traditional Name: 8-(2-amoxyphenyl)oct-5-ynoic acid methyl ester Formula: C20H28O3 MolecularWeight: 316.43452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1CCC#CCCCC(=O)OC

Isomeric SMILES

CCCCCOC1=CC=CC=C1CCC#CCCCC(=O)OC

InChI

InChI=1S/C20H28O3/c1-3-4-12-17-23-19-15-11-10-14-18(19)13-8-6-5-7-9-16-20(21)22-2/h10-11,14-15H,3-4,7-9,12-13,16-17H2,1-2H3