4-[4-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide; ethanoic acid

Systemtic Name: 4-[4-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide; ethanoic acid Openeye Name: acetic acid; 4-[4-(4-carbamimidoylphenyl)phenyl]benzamidine CAS Name: acetic acid; 4-[4-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide IUPAC Name: acetic acid; 4-[4-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide Traditional Name: acetic acid; 4-[4-(4-amidinophenyl)phenyl]benzamidine Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC(=CC=C1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(=O)O.C1=CC(=CC=C1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H18N4.C2H4O2/c21-19(22)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)20(23)24;1-2(3)4/h1-12H,(H3,21,22)(H3,23,24);1H3,(H,3,4)