4-[3-[1-[(4-carbamimidoylphenyl)amino]-2-ethoxy-2-oxidanylidene-ethyl]-5-ethoxy-phenoxy]butanoate ethanoate

Systemtic Name: 4-[3-[1-[(4-carbamimidoylphenyl)amino]-2-ethoxy-2-oxidanylidene-ethyl]-5-ethoxy-phenoxy]butanoate ethanoate Openeye Name: 4-[3-[1-(4-carbamimidoylanilino)-2-ethoxy-2-oxo-ethyl]-5-ethoxy-phenoxy]butanoate acetate CAS Name: 4-[3-[1-(4-carbamimidoylanilino)-2-ethoxy-2-oxoethyl]-5-ethoxyphenoxy]butanoate acetate IUPAC Name: 4-[3-[1-(4-carbamimidoylanilino)-2-ethoxy-2-oxoethyl]-5-ethoxyphenoxy]butanoate acetate Traditional Name: 4-[3-[1-(4-amidinoanilino)-2-ethoxy-2-keto-ethyl]-5-ethoxy-phenoxy]butyrate acetate Formula: C25H31N3O8-2 MolecularWeight: 501.52894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O6.C2H4O2/c1-3-30-18-12-16(13-19(14-18)32-11-5-6-20(27)28)21(23(29)31-4-2)26-17-9-7-15(8-10-17)22(24)25;1-2(3)4/h7-10,12-14,21,26H,3-6,11H2,1-2H3,(H3,24,25)(H,27,28);1H3,(H,3,4)/p-2