3-[[(3S,5S)-5-(3-fluoranylpyrrolidin-1-yl)carbonylpyrrolidin-3-yl]methylcarbamoyl]benzoic acid

Systemtic Name: 3-[[(3S,5S)-5-(3-fluoranylpyrrolidin-1-yl)carbonylpyrrolidin-3-yl]methylcarbamoyl]benzoic acid Openeye Name: 3-[[(3S,5S)-5-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]methylcarbamoyl]benzoic acid CAS Name: 3-[[[(3S,5S)-5-[(3-fluoro-1-pyrrolidinyl)-oxomethyl]-3-pyrrolidinyl]methylamino]-oxomethyl]benzoic acid IUPAC Name: 3-[[(3S,5S)-5-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]methylcarbamoyl]benzoic acid Traditional Name: 3-[[(3S,5S)-5-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]methylcarbamoyl]benzoic acid Formula: C18H22FN3O4 MolecularWeight: 363.383383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1F)C(=O)C2CC(CN2)CNC(=O)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

C1CN(CC1F)C(=O)[C@@H]2C[C@@H](CN2)CNC(=O)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C18H22FN3O4/c19-14-4-5-22(10-14)17(24)15-6-11(8-20-15)9-21-16(23)12-2-1-3-13(7-12)18(25)26/h1-3,7,11,14-15,20H,4-6,8-10H2,(H,21,23)(H,25,26)/t11-,14?,15-/m0/s1