5-carbamimidoyl-2-[2-(4-pyrrolidin-3-yloxyphenyl)ethyl]-1-benzofuran-3-carboxylic acid

Systemtic Name: 5-carbamimidoyl-2-[2-(4-pyrrolidin-3-yloxyphenyl)ethyl]-1-benzofuran-3-carboxylic acid Openeye Name: 5-carbamimidoyl-2-[2-(4-pyrrolidin-3-yloxyphenyl)ethyl]benzofuran-3-carboxylic acid CAS Name: 5-carbamimidoyl-2-[2-[4-(3-pyrrolidinyloxy)phenyl]ethyl]-3-benzofurancarboxylic acid IUPAC Name: 5-carbamimidoyl-2-[2-(4-pyrrolidin-3-yloxyphenyl)ethyl]-1-benzofuran-3-carboxylic acid Traditional Name: 5-amidino-2-[2-(4-pyrrolidin-3-yloxyphenyl)ethyl]benzofuran-3-carboxylic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c23-21(24)14-4-8-18-17(11-14)20(22(26)27)19(29-18)7-3-13-1-5-15(6-2-13)28-16-9-10-25-12-16/h1-2,4-6,8,11,16,25H,3,7,9-10,12H2,(H3,23,24)(H,26,27)