5-[[3-cyano-1-[4-(1-oxidanylhexyl)phenyl]pyrrolidin-2-yl]methoxy]pentanoic acid

Systemtic Name: 5-[[3-cyano-1-[4-(1-oxidanylhexyl)phenyl]pyrrolidin-2-yl]methoxy]pentanoic acid Openeye Name: 5-[[3-cyano-1-[4-(1-hydroxyhexyl)phenyl]pyrrolidin-2-yl]methoxy]pentanoic acid CAS Name: 5-[[3-cyano-1-[4-(1-hydroxyhexyl)phenyl]-2-pyrrolidinyl]methoxy]pentanoic acid IUPAC Name: 5-[[3-cyano-1-[4-(1-hydroxyhexyl)phenyl]pyrrolidin-2-yl]methoxy]pentanoic acid Traditional Name: 5-[[3-cyano-1-[4-(1-hydroxyhexyl)phenyl]pyrrolidin-2-yl]methoxy]valeric acid Formula: C23H34N2O4 MolecularWeight: 402.52706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=C(C=C1)N2CCC(C2COCCCCC(=O)O)C#N)O

Isomeric SMILES

CCCCCC(C1=CC=C(C=C1)N2CCC(C2COCCCCC(=O)O)C#N)O

InChI

InChI=1S/C23H34N2O4/c1-2-3-4-7-22(26)18-9-11-20(12-10-18)25-14-13-19(16-24)21(25)17-29-15-6-5-8-23(27)28/h9-12,19,21-22,26H,2-8,13-15,17H2,1H3,(H,27,28)