4-[[3-chloranyl-1-(3-oxidanyloctyl)pyrrolidin-2-yl]methoxy]benzoic acid

Systemtic Name: 4-[[3-chloranyl-1-(3-oxidanyloctyl)pyrrolidin-2-yl]methoxy]benzoic acid Openeye Name: 4-[[3-chloro-1-(3-hydroxyoctyl)pyrrolidin-2-yl]methoxy]benzoic acid CAS Name: 4-[[3-chloro-1-(3-hydroxyoctyl)-2-pyrrolidinyl]methoxy]benzoic acid IUPAC Name: 4-[[3-chloro-1-(3-hydroxyoctyl)pyrrolidin-2-yl]methoxy]benzoic acid Traditional Name: 4-[[3-chloro-1-(3-hydroxyoctyl)pyrrolidin-2-yl]methoxy]benzoic acid Formula: C20H30ClNO4 MolecularWeight: 383.9095

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCN1CCC(C1COC2=CC=C(C=C2)C(=O)O)Cl)O

Isomeric SMILES

CCCCCC(CCN1CCC(C1COC2=CC=C(C=C2)C(=O)O)Cl)O

InChI

InChI=1S/C20H30ClNO4/c1-2-3-4-5-16(23)10-12-22-13-11-18(21)19(22)14-26-17-8-6-15(7-9-17)20(24)25/h6-9,16,18-19,23H,2-5,10-14H2,1H3,(H,24,25)