2-[2-(5-carbamimidoyl-1-benzofuran-2-yl)ethyl]-5-[(3S)-pyrrolidin-3-yl]oxy-benzoic acid

Systemtic Name: 2-[2-(5-carbamimidoyl-1-benzofuran-2-yl)ethyl]-5-[(3S)-pyrrolidin-3-yl]oxy-benzoic acid Openeye Name: 2-[2-(5-carbamimidoylbenzofuran-2-yl)ethyl]-5-[(3S)-pyrrolidin-3-yl]oxy-benzoic acid CAS Name: 2-[2-(5-carbamimidoyl-2-benzofuranyl)ethyl]-5-[[(3S)-3-pyrrolidinyl]oxy]benzoic acid IUPAC Name: 2-[2-(5-carbamimidoyl-1-benzofuran-2-yl)ethyl]-5-[(3S)-pyrrolidin-3-yl]oxybenzoic acid Traditional Name: 2-[2-(5-amidinobenzofuran-2-yl)ethyl]-5-[(3S)-pyrrolidin-3-yl]oxy-benzoic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1OC2=CC(=C(C=C2)CCC3=CC4=C(O3)C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1CNC[C@H]1OC2=CC(=C(C=C2)CCC3=CC4=C(O3)C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C22H23N3O4/c23-21(24)14-3-6-20-15(9-14)10-16(29-20)4-1-13-2-5-17(11-19(13)22(26)27)28-18-7-8-25-12-18/h2-3,5-6,9-11,18,25H,1,4,7-8,12H2,(H3,23,24)(H,26,27)/t18-/m0/s1