(6-carbamimidoylnaphthalen-2-yl) 4-[(N'-ethanoylcarbamimidoyl)amino]benzoate

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) 4-[(N'-ethanoylcarbamimidoyl)amino]benzoate Openeye Name: (6-carbamimidoyl-2-naphthyl) 4-[(N'-acetylcarbamimidoyl)amino]benzoate CAS Name: 4-[[acetylimino(amino)methyl]amino]benzoic acid (6-carbamimidoyl-2-naphthalenyl) ester IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 4-[(N'-acetylcarbamimidoyl)amino]benzoate Traditional Name: 4-[(N'-acetylamidino)amino]benzoic acid (6-amidino-2-naphthyl) ester Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O3/c1-12(27)25-21(24)26-17-7-4-13(5-8-17)20(28)29-18-9-6-14-10-16(19(22)23)3-2-15(14)11-18/h2-11H,1H3,(H3,22,23)(H3,24,25,26,27)