4-(3,4-diaminocarbonylphenyl)-2,3-bis(N'-prop-2-enylcarbamimidoyl)benzoic acid

Systemtic Name: 4-(3,4-diaminocarbonylphenyl)-2,3-bis(N'-prop-2-enylcarbamimidoyl)benzoic acid Openeye Name: 2,3-bis(N'-allylcarbamimidoyl)-4-(3,4-dicarbamoylphenyl)benzoic acid CAS Name: 2,3-bis[amino(prop-2-enylimino)methyl]-4-(3,4-dicarbamoylphenyl)benzoic acid IUPAC Name: 4-(3,4-dicarbamoylphenyl)-2,3-bis(N'-prop-2-enylcarbamimidoyl)benzoic acid Traditional Name: 2,3-bis(N'-allylamidino)-4-(3,4-dicarbamoylphenyl)benzoic acid Formula: C23H24N6O4 MolecularWeight: 448.47446

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(C1=C(C=CC(=C1C(=NCC=C)N)C(=O)O)C2=CC(=C(C=C2)C(=O)N)C(=O)N)N

Isomeric SMILES

C=CCN=C(C1=C(C=CC(=C1C(=NCC=C)N)C(=O)O)C2=CC(=C(C=C2)C(=O)N)C(=O)N)N

InChI

InChI=1S/C23H24N6O4/c1-3-9-28-19(24)17-13(12-5-6-14(21(26)30)16(11-12)22(27)31)7-8-15(23(32)33)18(17)20(25)29-10-4-2/h3-8,11H,1-2,9-10H2,(H2,24,28)(H2,25,29)(H2,26,30)(H2,27,31)(H,32,33)