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

Systemtic Name: 2,5-bis(fluoranyl)-4-[1-(phenylmethyl)pyrrolidin-3-yl]benzoic acid Openeye Name: 4-(1-benzylpyrrolidin-3-yl)-2,5-difluoro-benzoic acid CAS Name: 2,5-difluoro-4-[1-(phenylmethyl)-3-pyrrolidinyl]benzoic acid IUPAC Name: 4-(1-benzylpyrrolidin-3-yl)-2,5-difluorobenzoic acid Traditional Name: 4-(1-benzylpyrrolidin-3-yl)-2,5-difluoro-benzoic acid Formula: C18H17F2NO2 MolecularWeight: 317.329886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C2=C(C=C(C(=C2)F)C(=O)O)F)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC1C2=C(C=C(C(=C2)F)C(=O)O)F)CC3=CC=CC=C3

InChI

InChI=1S/C18H17F2NO2/c19-16-9-15(18(22)23)17(20)8-14(16)13-6-7-21(11-13)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,22,23)