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

Systemtic Name: methyl 8-methoxy-8-(2-pentoxyphenyl)oct-5-ynoate Openeye Name: methyl 8-methoxy-8-(2-pentoxyphenyl)oct-5-ynoate CAS Name: 8-methoxy-8-(2-pentoxyphenyl)-5-octynoic acid methyl ester IUPAC Name: methyl 8-methoxy-8-(2-pentoxyphenyl)oct-5-ynoate Traditional Name: 8-(2-amoxyphenyl)-8-methoxy-oct-5-ynoic acid methyl ester Formula: C21H30O4 MolecularWeight: 346.4605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(CC#CCCCC(=O)OC)OC

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(CC#CCCCC(=O)OC)OC

InChI

InChI=1S/C21H30O4/c1-4-5-12-17-25-20-15-11-10-13-18(20)19(23-2)14-8-6-7-9-16-21(22)24-3/h10-11,13,15,19H,4-5,7,9,12,14,16-17H2,1-3H3