(E)-7-[2-(4-methylpiperazin-1-yl)-3-oxidanylidene-5-phenylmethoxy-cyclopentyl]hept-5-enoic acid

Systemtic Name: (E)-7-[2-(4-methylpiperazin-1-yl)-3-oxidanylidene-5-phenylmethoxy-cyclopentyl]hept-5-enoic acid Openeye Name: (E)-7-[5-benzyloxy-2-(4-methylpiperazin-1-yl)-3-oxo-cyclopentyl]hept-5-enoic acid CAS Name: (E)-7-[2-(4-methyl-1-piperazinyl)-3-oxo-5-phenylmethoxycyclopentyl]-5-heptenoic acid IUPAC Name: (E)-7-[2-(4-methylpiperazin-1-yl)-3-oxo-5-phenylmethoxycyclopentyl]hept-5-enoic acid Traditional Name: (E)-7-[5-benzoxy-3-keto-2-(4-methylpiperazino)cyclopentyl]hept-5-enoic acid Formula: C24H34N2O4 MolecularWeight: 414.53776

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2C(C(CC2=O)OCC3=CC=CC=C3)CC=CCCCC(=O)O

Isomeric SMILES

CN1CCN(CC1)C2C(C(CC2=O)OCC3=CC=CC=C3)C/C=C/CCCC(=O)O

InChI

InChI=1S/C24H34N2O4/c1-25-13-15-26(16-14-25)24-20(11-7-2-3-8-12-23(28)29)22(17-21(24)27)30-18-19-9-5-4-6-10-19/h2,4-7,9-10,20,22,24H,3,8,11-18H2,1H3,(H,28,29)/b7-2+