(E)-7-[2-[methyl(2-oxidanylheptyl)amino]-5-phenylmethoxy-cyclopent-3-en-1-yl]hept-5-enoic acid

Systemtic Name: (E)-7-[2-[methyl(2-oxidanylheptyl)amino]-5-phenylmethoxy-cyclopent-3-en-1-yl]hept-5-enoic acid Openeye Name: (E)-7-[2-benzyloxy-5-[2-hydroxyheptyl(methyl)amino]cyclopent-3-en-1-yl]hept-5-enoic acid CAS Name: (E)-7-[2-[2-hydroxyheptyl(methyl)amino]-5-phenylmethoxy-1-cyclopent-3-enyl]-5-heptenoic acid IUPAC Name: (E)-7-[2-[2-hydroxyheptyl(methyl)amino]-5-phenylmethoxycyclopent-3-en-1-yl]hept-5-enoic acid Traditional Name: (E)-7-[2-benzoxy-5-[2-hydroxyheptyl(methyl)amino]cyclopent-3-en-1-yl]hept-5-enoic acid Formula: C27H41NO4 MolecularWeight: 443.61874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CN(C)C1C=CC(C1CC=CCCCC(=O)O)OCC2=CC=CC=C2)O

Isomeric SMILES

CCCCCC(CN(C)C1C=CC(C1C/C=C/CCCC(=O)O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C27H41NO4/c1-3-4-8-15-23(29)20-28(2)25-18-19-26(32-21-22-13-9-7-10-14-22)24(25)16-11-5-6-12-17-27(30)31/h5,7,9-11,13-14,18-19,23-26,29H,3-4,6,8,12,15-17,20-21H2,1-2H3,(H,30,31)/b11-5+