3-(5-carbamimidoyl-1-benzofuran-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]propanoic acid

Systemtic Name: 3-(5-carbamimidoyl-1-benzofuran-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]propanoic acid Openeye Name: 3-(5-carbamimidoylbenzofuran-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]propanoic acid CAS Name: 3-(5-carbamimidoyl-2-benzofuranyl)-2-[4-[(1-methyl-3-pyrrolidinyl)oxy]phenyl]propanoic acid IUPAC Name: 3-(5-carbamimidoyl-1-benzofuran-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]propanoic acid Traditional Name: 3-(5-amidinobenzofuran-2-yl)-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]propionic acid Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(O3)C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

CN1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(O3)C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C23H25N3O4/c1-26-9-8-18(13-26)29-17-5-2-14(3-6-17)20(23(27)28)12-19-11-16-10-15(22(24)25)4-7-21(16)30-19/h2-7,10-11,18,20H,8-9,12-13H2,1H3,(H3,24,25)(H,27,28)