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

Systemtic Name: 4-[2-[3-chloranyl-1-(3-oxidanyloctyl)pyrrolidin-2-yl]ethyl]benzoic acid Openeye Name: 4-[2-[3-chloro-1-(3-hydroxyoctyl)pyrrolidin-2-yl]ethyl]benzoic acid CAS Name: 4-[2-[3-chloro-1-(3-hydroxyoctyl)-2-pyrrolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[3-chloro-1-(3-hydroxyoctyl)pyrrolidin-2-yl]ethyl]benzoic acid Traditional Name: 4-[2-[3-chloro-1-(3-hydroxyoctyl)pyrrolidin-2-yl]ethyl]benzoic acid Formula: C21H32ClNO3 MolecularWeight: 381.93668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCN1CCC(C1CCC2=CC=C(C=C2)C(=O)O)Cl)O

Isomeric SMILES

CCCCCC(CCN1CCC(C1CCC2=CC=C(C=C2)C(=O)O)Cl)O

InChI

InChI=1S/C21H32ClNO3/c1-2-3-4-5-18(24)12-14-23-15-13-19(22)20(23)11-8-16-6-9-17(10-7-16)21(25)26/h6-7,9-10,18-20,24H,2-5,8,11-15H2,1H3,(H,25,26)