2-[(4-carbamimidoylphenyl)amino]-2-[4,5-diethoxy-2-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]ethanoate ethanoate

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[4,5-diethoxy-2-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]ethanoate ethanoate Openeye Name: 2-(4-carbamimidoylanilino)-2-[4,5-diethoxy-2-(2-ethoxy-2-oxo-ethoxy)phenyl]acetate acetate CAS Name: 2-(4-carbamimidoylanilino)-2-[4,5-diethoxy-2-(2-ethoxy-2-oxoethoxy)phenyl]acetate acetate IUPAC Name: 2-(4-carbamimidoylanilino)-2-[4,5-diethoxy-2-(2-ethoxy-2-oxoethoxy)phenyl]acetate acetate Traditional Name: 2-(4-amidinoanilino)-2-[4,5-diethoxy-2-(2-ethoxy-2-keto-ethoxy)phenyl]acetate acetate Formula: C25H31N3O9-2 MolecularWeight: 517.52834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)OCC(=O)OCC)OCC.CC(=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)OCC(=O)OCC)OCC.CC(=O)[O-]

InChI

InChI=1S/C23H29N3O7.C2H4O2/c1-4-30-18-11-16(17(12-19(18)31-5-2)33-13-20(27)32-6-3)21(23(28)29)26-15-9-7-14(8-10-15)22(24)25;1-2(3)4/h7-12,21,26H,4-6,13H2,1-3H3,(H3,24,25)(H,28,29);1H3,(H,3,4)/p-2