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

Systemtic Name: 3-(5-carbamimidoyl-1-benzofuran-2-yl)-2-[4-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]oxyphenyl]propanoic acid Openeye Name: 3-(5-carbamimidoylbenzofuran-2-yl)-2-[4-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]oxyphenyl]propanoic acid CAS Name: 3-(5-carbamimidoyl-2-benzofuranyl)-2-[4-[[1-[dimethylamino(oxo)methyl]-3-pyrrolidinyl]oxy]phenyl]propanoic acid IUPAC Name: 3-(5-carbamimidoyl-1-benzofuran-2-yl)-2-[4-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]oxyphenyl]propanoic acid Traditional Name: 3-(5-amidinobenzofuran-2-yl)-2-[4-[1-(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)N1CCC(C1)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)N1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(O3)C=CC(=C4)C(=N)N)C(=O)O

InChI

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