7,8-diaminocarbonyl-5,6-bis[N'-(3-methoxypropyl)carbamimidoyl]naphthalene-1-carboxylic acid

Systemtic Name: 7,8-diaminocarbonyl-5,6-bis[N'-(3-methoxypropyl)carbamimidoyl]naphthalene-1-carboxylic acid Openeye Name: 7,8-dicarbamoyl-5,6-bis[N'-(3-methoxypropyl)carbamimidoyl]naphthalene-1-carboxylic acid CAS Name: 5,6-bis[amino(3-methoxypropylimino)methyl]-7,8-dicarbamoyl-1-naphthalenecarboxylic acid IUPAC Name: 7,8-dicarbamoyl-5,6-bis[N'-(3-methoxypropyl)carbamimidoyl]naphthalene-1-carboxylic acid Traditional Name: 7,8-dicarbamoyl-5,6-bis[N'-(3-methoxypropyl)amidino]-1-naphthoic acid Formula: C23H30N6O6 MolecularWeight: 486.5209

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN=C(C1=C(C(=C(C2=C1C=CC=C2C(=O)O)C(=O)N)C(=O)N)C(=NCCCOC)N)N

Isomeric SMILES

COCCCN=C(C1=C(C(=C(C2=C1C=CC=C2C(=O)O)C(=O)N)C(=O)N)C(=NCCCOC)N)N

InChI

InChI=1S/C23H30N6O6/c1-34-10-4-8-28-19(24)15-12-6-3-7-13(23(32)33)14(12)17(21(26)30)18(22(27)31)16(15)20(25)29-9-5-11-35-2/h3,6-7H,4-5,8-11H2,1-2H3,(H2,24,28)(H2,25,29)(H2,26,30)(H2,27,31)(H,32,33)