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

Systemtic Name: [5-ethyl-2-(2-phenylmethoxyethoxy)-3-propyl-phenyl] 2-[(4-carbamimidoylphenyl)amino]ethanoate hydrochloride Openeye Name: [2-(2-benzyloxyethoxy)-5-ethyl-3-propyl-phenyl] 2-(4-carbamimidoylanilino)acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)acetic acid [5-ethyl-2-(2-phenylmethoxyethoxy)-3-propylphenyl] ester hydrochloride IUPAC Name: [5-ethyl-2-(2-phenylmethoxyethoxy)-3-propylphenyl] 2-(4-carbamimidoylanilino)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)acetic acid [2-(2-benzoxyethoxy)-5-ethyl-3-propyl-phenyl] ester hydrochloride Formula: C29H36ClN3O4 MolecularWeight: 526.06684

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H35N3O4.ClH/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);1H