5-[[3-chloranyl-1-(3-oxidanyloctyl)pyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[3-chloranyl-1-(3-oxidanyloctyl)pyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid Openeye Name: 5-[[3-chloro-1-(3-hydroxyoctyl)pyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid CAS Name: 5-[[3-chloro-1-(3-hydroxyoctyl)-2-pyrrolidinyl]methoxymethyl]-2-furancarboxylic acid IUPAC Name: 5-[[3-chloro-1-(3-hydroxyoctyl)pyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid Traditional Name: 5-[[3-chloro-1-(3-hydroxyoctyl)pyrrolidin-2-yl]methoxymethyl]-2-furoic acid Formula: C19H30ClNO5 MolecularWeight: 387.8982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCN1CCC(C1COCC2=CC=C(O2)C(=O)O)Cl)O

Isomeric SMILES

CCCCCC(CCN1CCC(C1COCC2=CC=C(O2)C(=O)O)Cl)O

InChI

InChI=1S/C19H30ClNO5/c1-2-3-4-5-14(22)8-10-21-11-9-16(20)17(21)13-25-12-15-6-7-18(26-15)19(23)24/h6-7,14,16-17,22H,2-5,8-13H2,1H3,(H,23,24)