4-[[(1S)-2-[(3S)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-ethyl]-methyl-amino]benzoic acid

Systemtic Name: 4-[[(1S)-2-[(3S)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-ethyl]-methyl-amino]benzoic acid Openeye Name: 4-[[(1S)-2-[(3S)-3-fluoropyrrolidin-1-yl]-1-phenyl-ethyl]-methyl-amino]benzoic acid CAS Name: 4-[[(1S)-2-[(3S)-3-fluoro-1-pyrrolidinyl]-1-phenylethyl]-methylamino]benzoic acid IUPAC Name: 4-[[(1S)-2-[(3S)-3-fluoropyrrolidin-1-yl]-1-phenylethyl]-methylamino]benzoic acid Traditional Name: 4-[[(1S)-2-[(3S)-3-fluoropyrrolidino]-1-phenyl-ethyl]-methyl-amino]benzoic acid Formula: C20H23FN2O2 MolecularWeight: 342.407223

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)O)C(CN2CCC(C2)F)C3=CC=CC=C3

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)O)[C@H](CN2CC[C@@H](C2)F)C3=CC=CC=C3

InChI

InChI=1S/C20H23FN2O2/c1-22(18-9-7-16(8-10-18)20(24)25)19(15-5-3-2-4-6-15)14-23-12-11-17(21)13-23/h2-10,17,19H,11-14H2,1H3,(H,24,25)/t17-,19+/m0/s1