(4-carbamimidoylphenyl) 4-[2-[(2-ethoxy-2-oxidanylidene-ethyl)-prop-2-enyl-amino]-2-oxidanylidene-ethoxy]benzoate ethanoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[2-[(2-ethoxy-2-oxidanylidene-ethyl)-prop-2-enyl-amino]-2-oxidanylidene-ethoxy]benzoate ethanoate Openeye Name: (4-carbamimidoylphenyl) 4-[2-[allyl-(2-ethoxy-2-oxo-ethyl)amino]-2-oxo-ethoxy]benzoate acetate CAS Name: 4-[2-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-oxoethoxy]benzoic acid (4-carbamimidoylphenyl) ester acetate IUPAC Name: (4-carbamimidoylphenyl) 4-[2-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-oxoethoxy]benzoate acetate Traditional Name: 4-[2-[allyl-(2-ethoxy-2-keto-ethyl)amino]-2-keto-ethoxy]benzoic acid (4-amidinophenyl) ester acetate Formula: C25H28N3O8- MolecularWeight: 498.50512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC=C)C(=O)COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N.CC(=O)[O-]

Isomeric SMILES

CCOC(=O)CN(CC=C)C(=O)COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N.CC(=O)[O-]

InChI

InChI=1S/C23H25N3O6.C2H4O2/c1-3-13-26(14-21(28)30-4-2)20(27)15-31-18-9-7-17(8-10-18)23(29)32-19-11-5-16(6-12-19)22(24)25;1-2(3)4/h3,5-12H,1,4,13-15H2,2H3,(H3,24,25);1H3,(H,3,4)/p-1