[3-butan-2-yl-5-ethyl-2-(2-hydroxyethyloxy)phenyl] 2-[(4-carbamimidoylphenyl)amino]ethanoate

Systemtic Name: [3-butan-2-yl-5-ethyl-2-(2-hydroxyethyloxy)phenyl] 2-[(4-carbamimidoylphenyl)amino]ethanoate Openeye Name: [5-ethyl-2-(2-hydroxyethoxy)-3-sec-butyl-phenyl] 2-(4-carbamimidoylanilino)acetate CAS Name: 2-(4-carbamimidoylanilino)acetic acid [3-butan-2-yl-5-ethyl-2-(2-hydroxyethoxy)phenyl] ester IUPAC Name: [3-butan-2-yl-5-ethyl-2-(2-hydroxyethoxy)phenyl] 2-(4-carbamimidoylanilino)acetate Traditional Name: 2-(4-amidinoanilino)acetic acid [5-ethyl-2-(2-hydroxyethoxy)-3-sec-butyl-phenyl] ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)OC(=O)CNC2=CC=C(C=C2)C(=N)N)OCCO)C(C)CC

Isomeric SMILES

CCC1=CC(=C(C(=C1)OC(=O)CNC2=CC=C(C=C2)C(=N)N)OCCO)C(C)CC

InChI

InChI=1S/C23H31N3O4/c1-4-15(3)19-12-16(5-2)13-20(22(19)29-11-10-27)30-21(28)14-26-18-8-6-17(7-9-18)23(24)25/h6-9,12-13,15,26-27H,4-5,10-11,14H2,1-3H3,(H3,24,25)