[3-butan-2-yl-2-(2-hydroxyethyloxy)-5-propyl-phenyl] 2-[(4-carbamimidoylphenyl)amino]ethanoate; ethanoic acid

Systemtic Name: [3-butan-2-yl-2-(2-hydroxyethyloxy)-5-propyl-phenyl] 2-[(4-carbamimidoylphenyl)amino]ethanoate; ethanoic acid Openeye Name: acetic acid; [2-(2-hydroxyethoxy)-5-propyl-3-sec-butyl-phenyl] 2-(4-carbamimidoylanilino)acetate CAS Name: acetic acid; 2-(4-carbamimidoylanilino)acetic acid [3-butan-2-yl-2-(2-hydroxyethoxy)-5-propylphenyl] ester IUPAC Name: acetic acid; [3-butan-2-yl-2-(2-hydroxyethoxy)-5-propylphenyl] 2-(4-carbamimidoylanilino)acetate Traditional Name: acetic acid; 2-(4-amidinoanilino)acetic acid [2-(2-hydroxyethoxy)-5-propyl-3-sec-butyl-phenyl] ester Formula: C26H37N3O6 MolecularWeight: 487.58848

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C(=C1)OC(=O)CNC2=CC=C(C=C2)C(=N)N)OCCO)C(C)CC.CC(=O)O

Isomeric SMILES

CCCC1=CC(=C(C(=C1)OC(=O)CNC2=CC=C(C=C2)C(=N)N)OCCO)C(C)CC.CC(=O)O

InChI

InChI=1S/C24H33N3O4.C2H4O2/c1-4-6-17-13-20(16(3)5-2)23(30-12-11-28)21(14-17)31-22(29)15-27-19-9-7-18(8-10-19)24(25)26;1-2(3)4/h7-10,13-14,16,27-28H,4-6,11-12,15H2,1-3H3,(H3,25,26);1H3,(H,3,4)