1,8-diaminocarbonyl-4,5-bis(N'-prop-2-enylcarbamimidoyl)naphthalene-2-carboxylic acid

Systemtic Name: 1,8-diaminocarbonyl-4,5-bis(N'-prop-2-enylcarbamimidoyl)naphthalene-2-carboxylic acid Openeye Name: 4,5-bis(N'-allylcarbamimidoyl)-1,8-dicarbamoyl-naphthalene-2-carboxylic acid CAS Name: 4,5-bis[amino(prop-2-enylimino)methyl]-1,8-dicarbamoyl-2-naphthalenecarboxylic acid IUPAC Name: 1,8-dicarbamoyl-4,5-bis(N'-prop-2-enylcarbamimidoyl)naphthalene-2-carboxylic acid Traditional Name: 4,5-bis(N'-allylamidino)-1,8-dicarbamoyl-2-naphthoic acid Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(C1=C2C(=CC(=C(C2=C(C=C1)C(=O)N)C(=O)N)C(=O)O)C(=NCC=C)N)N

Isomeric SMILES

C=CCN=C(C1=C2C(=CC(=C(C2=C(C=C1)C(=O)N)C(=O)N)C(=O)O)C(=NCC=C)N)N

InChI

InChI=1S/C21H22N6O4/c1-3-7-26-17(22)10-5-6-11(19(24)28)15-14(10)12(18(23)27-8-4-2)9-13(21(30)31)16(15)20(25)29/h3-6,9H,1-2,7-8H2,(H2,22,26)(H2,23,27)(H2,24,28)(H2,25,29)(H,30,31)