2-[2-(2-azanyl-2-oxidanylidene-ethoxy)-4-ethoxy-5-ethyl-phenyl]-2-[(4-carbamimidoylphenyl)amino]ethanoate ethanoate

Systemtic Name: 2-[2-(2-azanyl-2-oxidanylidene-ethoxy)-4-ethoxy-5-ethyl-phenyl]-2-[(4-carbamimidoylphenyl)amino]ethanoate ethanoate Openeye Name: 2-[2-(2-amino-2-oxo-ethoxy)-4-ethoxy-5-ethyl-phenyl]-2-(4-carbamimidoylanilino)acetate acetate CAS Name: 2-[2-(2-amino-2-oxoethoxy)-4-ethoxy-5-ethylphenyl]-2-(4-carbamimidoylanilino)acetate acetate IUPAC Name: 2-[2-(2-amino-2-oxoethoxy)-4-ethoxy-5-ethylphenyl]-2-(4-carbamimidoylanilino)acetate acetate Traditional Name: 2-(4-amidinoanilino)-2-[2-(2-amino-2-keto-ethoxy)-4-ethoxy-5-ethyl-phenyl]acetate acetate Formula: C23H28N4O7-2 MolecularWeight: 472.49102

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1OCC)OCC(=O)N)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N.CC(=O)[O-]

Isomeric SMILES

CCC1=CC(=C(C=C1OCC)OCC(=O)N)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N.CC(=O)[O-]

InChI

InChI=1S/C21H26N4O5.C2H4O2/c1-3-12-9-15(17(30-11-18(22)26)10-16(12)29-4-2)19(21(27)28)25-14-7-5-13(6-8-14)20(23)24;1-2(3)4/h5-10,19,25H,3-4,11H2,1-2H3,(H2,22,26)(H3,23,24)(H,27,28);1H3,(H,3,4)/p-2