2-[4-(2-azanylbutoxy)phenyl]-3-(5-carbamimidoyl-1-benzofuran-2-yl)propanoic acid

Systemtic Name: 2-[4-(2-azanylbutoxy)phenyl]-3-(5-carbamimidoyl-1-benzofuran-2-yl)propanoic acid Openeye Name: 2-[4-(2-aminobutoxy)phenyl]-3-(5-carbamimidoylbenzofuran-2-yl)propanoic acid CAS Name: 2-[4-(2-aminobutoxy)phenyl]-3-(5-carbamimidoyl-2-benzofuranyl)propanoic acid IUPAC Name: 2-[4-(2-aminobutoxy)phenyl]-3-(5-carbamimidoyl-1-benzofuran-2-yl)propanoic acid Traditional Name: 3-(5-amidinobenzofuran-2-yl)-2-[4-(2-aminobutoxy)phenyl]propionic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC1=CC=C(C=C1)C(CC2=CC3=C(O2)C=CC(=C3)C(=N)N)C(=O)O)N

Isomeric SMILES

CCC(COC1=CC=C(C=C1)C(CC2=CC3=C(O2)C=CC(=C3)C(=N)N)C(=O)O)N

InChI

InChI=1S/C22H25N3O4/c1-2-16(23)12-28-17-6-3-13(4-7-17)19(22(26)27)11-18-10-15-9-14(21(24)25)5-8-20(15)29-18/h3-10,16,19H,2,11-12,23H2,1H3,(H3,24,25)(H,26,27)