methyl (E)-7-[3-[(2-bromophenyl)methoxy]-2-methanoyl-5-oxidanyl-cyclopentyl]hept-5-enoate

Systemtic Name: methyl (E)-7-[3-[(2-bromophenyl)methoxy]-2-methanoyl-5-oxidanyl-cyclopentyl]hept-5-enoate Openeye Name: methyl (E)-7-[3-[(2-bromophenyl)methoxy]-2-formyl-5-hydroxy-cyclopentyl]hept-5-enoate CAS Name: (E)-7-[3-[(2-bromophenyl)methoxy]-2-formyl-5-hydroxycyclopentyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[3-[(2-bromophenyl)methoxy]-2-formyl-5-hydroxycyclopentyl]hept-5-enoate Traditional Name: (E)-7-[3-(2-bromobenzyl)oxy-2-formyl-5-hydroxy-cyclopentyl]hept-5-enoic acid methyl ester Formula: C21H27BrO5 MolecularWeight: 439.34008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=CCC1C(CC(C1C=O)OCC2=CC=CC=C2Br)O

Isomeric SMILES

COC(=O)CCC/C=C/CC1C(CC(C1C=O)OCC2=CC=CC=C2Br)O

InChI

InChI=1S/C21H27BrO5/c1-26-21(25)11-5-3-2-4-9-16-17(13-23)20(12-19(16)24)27-14-15-8-6-7-10-18(15)22/h2,4,6-8,10,13,16-17,19-20,24H,3,5,9,11-12,14H2,1H3/b4-2+