(E)-7-[5-[(3-methylphenyl)methoxymethyl]-4-phenyl-cyclopenten-1-yl]hept-5-enoic acid

Systemtic Name: (E)-7-[5-[(3-methylphenyl)methoxymethyl]-4-phenyl-cyclopenten-1-yl]hept-5-enoic acid Openeye Name: (E)-7-[5-(m-tolylmethoxymethyl)-4-phenyl-cyclopenten-1-yl]hept-5-enoic acid CAS Name: (E)-7-[5-[(3-methylphenyl)methoxymethyl]-4-phenyl-1-cyclopentenyl]-5-heptenoic acid IUPAC Name: (E)-7-[5-[(3-methylphenyl)methoxymethyl]-4-phenylcyclopenten-1-yl]hept-5-enoic acid Traditional Name: (E)-7-[5-[(3-methylbenzyl)oxymethyl]-4-phenyl-cyclopenten-1-yl]hept-5-enoic acid Formula: C27H32O3 MolecularWeight: 404.54118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COCC2C(CC=C2CC=CCCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)COCC2C(CC=C2C/C=C/CCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C27H32O3/c1-21-10-9-11-22(18-21)19-30-20-26-24(14-5-2-3-8-15-27(28)29)16-17-25(26)23-12-6-4-7-13-23/h2,4-7,9-13,16,18,25-26H,3,8,14-15,17,19-20H2,1H3,(H,28,29)/b5-2+