[5-ethyl-2-(2-phenylmethoxyethoxy)-3-propyl-phenyl] 2-[(4-carbamimidoylphenyl)amino]ethanoate

Systemtic Name: [5-ethyl-2-(2-phenylmethoxyethoxy)-3-propyl-phenyl] 2-[(4-carbamimidoylphenyl)amino]ethanoate Openeye Name: [2-(2-benzyloxyethoxy)-5-ethyl-3-propyl-phenyl] 2-(4-carbamimidoylanilino)acetate CAS Name: 2-(4-carbamimidoylanilino)acetic acid [5-ethyl-2-(2-phenylmethoxyethoxy)-3-propylphenyl] ester IUPAC Name: [5-ethyl-2-(2-phenylmethoxyethoxy)-3-propylphenyl] 2-(4-carbamimidoylanilino)acetate Traditional Name: 2-(4-amidinoanilino)acetic acid [2-(2-benzoxyethoxy)-5-ethyl-3-propyl-phenyl] ester Formula: C29H35N3O4 MolecularWeight: 489.6059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)CC)OC(=O)CNC2=CC=C(C=C2)C(=N)N)OCCOCC3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C(=CC(=C1)CC)OC(=O)CNC2=CC=C(C=C2)C(=N)N)OCCOCC3=CC=CC=C3

InChI

InChI=1S/C29H35N3O4/c1-3-8-24-17-21(4-2)18-26(28(24)35-16-15-34-20-22-9-6-5-7-10-22)36-27(33)19-32-25-13-11-23(12-14-25)29(30)31/h5-7,9-14,17-18,32H,3-4,8,15-16,19-20H2,1-2H3,(H3,30,31)