2-[(4-carbamimidoylphenyl)amino]-2-[4,5-diethoxy-2-(3-oxidanylpropoxy)phenyl]ethanoate ethanoate

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[4,5-diethoxy-2-(3-oxidanylpropoxy)phenyl]ethanoate ethanoate Openeye Name: 2-(4-carbamimidoylanilino)-2-[4,5-diethoxy-2-(3-hydroxypropoxy)phenyl]acetate acetate CAS Name: 2-(4-carbamimidoylanilino)-2-[4,5-diethoxy-2-(3-hydroxypropoxy)phenyl]acetate acetate IUPAC Name: 2-(4-carbamimidoylanilino)-2-[4,5-diethoxy-2-(3-hydroxypropoxy)phenyl]acetate acetate Traditional Name: 2-(4-amidinoanilino)-2-[4,5-diethoxy-2-(3-hydroxypropoxy)phenyl]acetate acetate Formula: C24H31N3O8-2 MolecularWeight: 489.51824

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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)OCCCO)OCC.CC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O6.C2H4O2/c1-3-29-18-12-16(17(31-11-5-10-26)13-19(18)30-4-2)20(22(27)28)25-15-8-6-14(7-9-15)21(23)24;1-2(3)4/h6-9,12-13,20,25-26H,3-5,10-11H2,1-2H3,(H3,23,24)(H,27,28);1H3,(H,3,4)/p-2