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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[2-(2-hydroxyethyloxy)-5-propyl-phenyl]ethanoate ethanoate Openeye Name: 2-(4-carbamimidoylanilino)-2-[2-(2-hydroxyethoxy)-5-propyl-phenyl]acetate acetate CAS Name: 2-(4-carbamimidoylanilino)-2-[2-(2-hydroxyethoxy)-5-propylphenyl]acetate acetate IUPAC Name: 2-(4-carbamimidoylanilino)-2-[2-(2-hydroxyethoxy)-5-propylphenyl]acetate acetate Traditional Name: 2-(4-amidinoanilino)-2-[2-(2-hydroxyethoxy)-5-propyl-phenyl]acetate acetate Formula: C22H27N3O6-2 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCCO)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N.CC(=O)[O-]

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCCO)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N.CC(=O)[O-]

InChI

InChI=1S/C20H25N3O4.C2H4O2/c1-2-3-13-4-9-17(27-11-10-24)16(12-13)18(20(25)26)23-15-7-5-14(6-8-15)19(21)22;1-2(3)4/h4-9,12,18,23-24H,2-3,10-11H2,1H3,(H3,21,22)(H,25,26);1H3,(H,3,4)/p-2