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

Systemtic Name: 3-(5-carbamimidoyl-1-benzofuran-2-yl)-2-[4-[5-(dimethylcarbamoyl)pyrrolidin-3-yl]oxyphenyl]propanoic acid Openeye Name: 3-(5-carbamimidoylbenzofuran-2-yl)-2-[4-[5-(dimethylcarbamoyl)pyrrolidin-3-yl]oxyphenyl]propanoic acid CAS Name: 3-(5-carbamimidoyl-2-benzofuranyl)-2-[4-[[5-[dimethylamino(oxo)methyl]-3-pyrrolidinyl]oxy]phenyl]propanoic acid IUPAC Name: 3-(5-carbamimidoyl-1-benzofuran-2-yl)-2-[4-[5-(dimethylcarbamoyl)pyrrolidin-3-yl]oxyphenyl]propanoic acid Traditional Name: 3-(5-amidinobenzofuran-2-yl)-2-[4-[5-(dimethylcarbamoyl)pyrrolidin-3-yl]oxyphenyl]propionic acid Formula: C25H28N4O5 MolecularWeight: 464.51362

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CC(CN1)OC2=CC=C(C=C2)C(CC3=CC4=C(O3)C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

CN(C)C(=O)C1CC(CN1)OC2=CC=C(C=C2)C(CC3=CC4=C(O3)C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C25H28N4O5/c1-29(2)24(30)21-12-19(13-28-21)33-17-6-3-14(4-7-17)20(25(31)32)11-18-10-16-9-15(23(26)27)5-8-22(16)34-18/h3-10,19-21,28H,11-13H2,1-2H3,(H3,26,27)(H,31,32)