2-[4-[[3-carbamimidoyl-5-(phenylmethyl)-1-benzofuran-2-yl]carbonylamino]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[[3-carbamimidoyl-5-(phenylmethyl)-1-benzofuran-2-yl]carbonylamino]phenoxy]ethanoic acid Openeye Name: 2-[4-[(5-benzyl-3-carbamimidoyl-benzofuran-2-carbonyl)amino]phenoxy]acetic acid CAS Name: 2-[4-[[[3-carbamimidoyl-5-(phenylmethyl)-2-benzofuranyl]-oxomethyl]amino]phenoxy]acetic acid IUPAC Name: 2-[4-[(5-benzyl-3-carbamimidoyl-1-benzofuran-2-carbonyl)amino]phenoxy]acetic acid Traditional Name: 2-[4-[(3-amidino-5-benzyl-benzofuran-2-carbonyl)amino]phenoxy]acetic acid Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC3=C(C=C2)OC(=C3C(=N)N)C(=O)NC4=CC=C(C=C4)OCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC3=C(C=C2)OC(=C3C(=N)N)C(=O)NC4=CC=C(C=C4)OCC(=O)O

InChI

InChI=1S/C25H21N3O5/c26-24(27)22-19-13-16(12-15-4-2-1-3-5-15)6-11-20(19)33-23(22)25(31)28-17-7-9-18(10-8-17)32-14-21(29)30/h1-11,13H,12,14H2,(H3,26,27)(H,28,31)(H,29,30)