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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[4,5-diethoxy-2-(2-hydroxyethyloxy)phenyl]ethanoate ethanoate Openeye Name: 2-(4-carbamimidoylanilino)-2-[4,5-diethoxy-2-(2-hydroxyethoxy)phenyl]acetate acetate CAS Name: 2-(4-carbamimidoylanilino)-2-[4,5-diethoxy-2-(2-hydroxyethoxy)phenyl]acetate acetate IUPAC Name: 2-(4-carbamimidoylanilino)-2-[4,5-diethoxy-2-(2-hydroxyethoxy)phenyl]acetate acetate Traditional Name: 2-(4-amidinoanilino)-2-[4,5-diethoxy-2-(2-hydroxyethoxy)phenyl]acetate acetate Formula: C23H29N3O8-2 MolecularWeight: 475.49166

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6.C2H4O2/c1-3-28-17-11-15(16(30-10-9-25)12-18(17)29-4-2)19(21(26)27)24-14-7-5-13(6-8-14)20(22)23;1-2(3)4/h5-8,11-12,19,24-25H,3-4,9-10H2,1-2H3,(H3,22,23)(H,26,27);1H3,(H,3,4)/p-2