[2-[(E)-7-methoxy-7-oxidanylidene-hept-2-enyl]-4-(oxan-2-yloxy)-3-(phenylmethoxymethyl)cyclopentyl] benzoate

Systemtic Name: [2-[(E)-7-methoxy-7-oxidanylidene-hept-2-enyl]-4-(oxan-2-yloxy)-3-(phenylmethoxymethyl)cyclopentyl] benzoate Openeye Name: [3-(benzyloxymethyl)-2-[(E)-7-methoxy-7-oxo-hept-2-enyl]-4-tetrahydropyran-2-yloxy-cyclopentyl] benzoate CAS Name: benzoic acid [2-[(E)-7-methoxy-7-oxohept-2-enyl]-4-(2-oxanyloxy)-3-(phenylmethoxymethyl)cyclopentyl] ester IUPAC Name: [2-[(E)-7-methoxy-7-oxohept-2-enyl]-4-(oxan-2-yloxy)-3-(phenylmethoxymethyl)cyclopentyl] benzoate Traditional Name: benzoic acid [3-(benzoxymethyl)-2-[(E)-7-keto-7-methoxy-hept-2-enyl]-4-tetrahydropyran-2-yloxy-cyclopentyl] ester Formula: C33H42O7 MolecularWeight: 550.68238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=CCC1C(CC(C1COCC2=CC=CC=C2)OC3CCCCO3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CCC/C=C/CC1C(CC(C1COCC2=CC=CC=C2)OC3CCCCO3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C33H42O7/c1-36-31(34)19-11-3-2-10-18-27-28(24-37-23-25-14-6-4-7-15-25)30(39-32-20-12-13-21-38-32)22-29(27)40-33(35)26-16-8-5-9-17-26/h2,4-10,14-17,27-30,32H,3,11-13,18-24H2,1H3/b10-2+