methyl (E)-7-[2-[(3-methylphenyl)methoxymethyl]-3-(oxan-2-yloxy)-5-oxidanyl-cyclopentyl]hept-5-enoate

Systemtic Name: methyl (E)-7-[2-[(3-methylphenyl)methoxymethyl]-3-(oxan-2-yloxy)-5-oxidanyl-cyclopentyl]hept-5-enoate Openeye Name: methyl (E)-7-[5-hydroxy-2-(m-tolylmethoxymethyl)-3-tetrahydropyran-2-yloxy-cyclopentyl]hept-5-enoate CAS Name: (E)-7-[5-hydroxy-2-[(3-methylphenyl)methoxymethyl]-3-(2-oxanyloxy)cyclopentyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[5-hydroxy-2-[(3-methylphenyl)methoxymethyl]-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoate Traditional Name: (E)-7-[5-hydroxy-2-[(3-methylbenzyl)oxymethyl]-3-tetrahydropyran-2-yloxy-cyclopentyl]hept-5-enoic acid methyl ester Formula: C27H40O6 MolecularWeight: 460.6029

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COCC2C(CC(C2CC=CCCCC(=O)OC)O)OC3CCCCO3

Isomeric SMILES

CC1=CC(=CC=C1)COCC2C(CC(C2C/C=C/CCCC(=O)OC)O)OC3CCCCO3

InChI

InChI=1S/C27H40O6/c1-20-10-9-11-21(16-20)18-31-19-23-22(12-5-3-4-6-13-26(29)30-2)24(28)17-25(23)33-27-14-7-8-15-32-27/h3,5,9-11,16,22-25,27-28H,4,6-8,12-15,17-19H2,1-2H3/b5-3+