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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(C1=CC(=C(C2=C(C=CC(=C12)C(=O)N)C(=O)N)C(=NCC=C)N)C(=O)O)N

Isomeric SMILES

C=CCN=C(C1=CC(=C(C2=C(C=CC(=C12)C(=O)N)C(=O)N)C(=NCC=C)N)C(=O)O)N

InChI

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