2-[3-[4-[[(4-carbamimidoylphenyl)carbonylamino]methyl]phenoxy]propoxy]-4-cyano-benzamide

Systemtic Name: 2-[3-[4-[[(4-carbamimidoylphenyl)carbonylamino]methyl]phenoxy]propoxy]-4-cyano-benzamide Openeye Name: 2-[3-[4-[[(4-carbamimidoylbenzoyl)amino]methyl]phenoxy]propoxy]-4-cyano-benzamide CAS Name: 2-[3-[4-[[[(4-carbamimidoylphenyl)-oxomethyl]amino]methyl]phenoxy]propoxy]-4-cyanobenzamide IUPAC Name: 2-[3-[4-[[(4-carbamimidoylbenzoyl)amino]methyl]phenoxy]propoxy]-4-cyanobenzamide Traditional Name: 2-[3-[4-[[(4-amidinobenzoyl)amino]methyl]phenoxy]propoxy]-4-cyano-benzamide Formula: C26H25N5O4 MolecularWeight: 471.5078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC=C(C=C2)C(=N)N)OCCCOC3=C(C=CC(=C3)C#N)C(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC=C(C=C2)C(=N)N)OCCCOC3=C(C=CC(=C3)C#N)C(=O)N

InChI

InChI=1S/C26H25N5O4/c27-15-18-4-11-22(25(30)32)23(14-18)35-13-1-12-34-21-9-2-17(3-10-21)16-31-26(33)20-7-5-19(6-8-20)24(28)29/h2-11,14H,1,12-13,16H2,(H3,28,29)(H2,30,32)(H,31,33)