(6-carbamimidoylnaphthalen-2-yl) 4-[[N-(2-acetamidoethyl)-N'-methyl-carbamimidoyl]amino]benzoate

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) 4-[[N-(2-acetamidoethyl)-N'-methyl-carbamimidoyl]amino]benzoate Openeye Name: (6-carbamimidoyl-2-naphthyl) 4-[[N-(2-acetamidoethyl)-N'-methyl-carbamimidoyl]amino]benzoate CAS Name: 4-[[(2-acetamidoethylamino)-methyliminomethyl]amino]benzoic acid (6-carbamimidoyl-2-naphthalenyl) ester IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 4-[[N-(2-acetamidoethyl)-N'-methylcarbamimidoyl]amino]benzoate Traditional Name: 4-[[N-(2-acetamidoethyl)-N'-methyl-amidino]amino]benzoic acid (6-amidino-2-naphthyl) ester Formula: C24H26N6O3 MolecularWeight: 446.50164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=NC)NC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N

Isomeric SMILES

CC(=O)NCCNC(=NC)NC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N

InChI

InChI=1S/C24H26N6O3/c1-15(31)28-11-12-29-24(27-2)30-20-8-5-16(6-9-20)23(32)33-21-10-7-17-13-19(22(25)26)4-3-18(17)14-21/h3-10,13-14H,11-12H2,1-2H3,(H3,25,26)(H,28,31)(H2,27,29,30)