2,5-bis(fluoranyl)-4-[3-oxidanyl-1-(phenylmethyl)pyrrolidin-3-yl]benzoic acid

Systemtic Name: 2,5-bis(fluoranyl)-4-[3-oxidanyl-1-(phenylmethyl)pyrrolidin-3-yl]benzoic acid Openeye Name: 4-(1-benzyl-3-hydroxy-pyrrolidin-3-yl)-2,5-difluoro-benzoic acid CAS Name: 2,5-difluoro-4-[3-hydroxy-1-(phenylmethyl)-3-pyrrolidinyl]benzoic acid IUPAC Name: 4-(1-benzyl-3-hydroxypyrrolidin-3-yl)-2,5-difluorobenzoic acid Traditional Name: 4-(1-benzyl-3-hydroxy-pyrrolidin-3-yl)-2,5-difluoro-benzoic acid Formula: C18H17F2NO3 MolecularWeight: 333.329286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1(C2=C(C=C(C(=C2)F)C(=O)O)F)O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC1(C2=C(C=C(C(=C2)F)C(=O)O)F)O)CC3=CC=CC=C3

InChI

InChI=1S/C18H17F2NO3/c19-15-9-14(16(20)8-13(15)17(22)23)18(24)6-7-21(11-18)10-12-4-2-1-3-5-12/h1-5,8-9,24H,6-7,10-11H2,(H,22,23)