6-[1-(2,2-dimethylpropyl)-2-methyl-4-[(E)-3-oxidanyloct-5-enyl]pyrrol-3-yl]hept-6-enoic acid

Systemtic Name: 6-[1-(2,2-dimethylpropyl)-2-methyl-4-[(E)-3-oxidanyloct-5-enyl]pyrrol-3-yl]hept-6-enoic acid Openeye Name: 6-[1-(2,2-dimethylpropyl)-4-[(E)-3-hydroxyoct-5-enyl]-2-methyl-pyrrol-3-yl]hept-6-enoic acid CAS Name: 6-[1-(2,2-dimethylpropyl)-4-[(E)-3-hydroxyoct-5-enyl]-2-methyl-3-pyrrolyl]-6-heptenoic acid IUPAC Name: 6-[1-(2,2-dimethylpropyl)-4-[(E)-3-hydroxyoct-5-enyl]-2-methylpyrrol-3-yl]hept-6-enoic acid Traditional Name: 6-[4-[(E)-3-hydroxyoct-5-enyl]-2-methyl-1-neopentyl-pyrrol-3-yl]hept-6-enoic acid Formula: C25H41NO3 MolecularWeight: 403.59794

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC(CCC1=CN(C(=C1C(=C)CCCCC(=O)O)C)CC(C)(C)C)O

Isomeric SMILES

CC/C=C/CC(CCC1=CN(C(=C1C(=C)CCCCC(=O)O)C)CC(C)(C)C)O

InChI

InChI=1S/C25H41NO3/c1-7-8-9-13-22(27)16-15-21-17-26(18-25(4,5)6)20(3)24(21)19(2)12-10-11-14-23(28)29/h8-9,17,22,27H,2,7,10-16,18H2,1,3-6H3,(H,28,29)/b9-8+