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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)CC)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCCOCC3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C(=CC(=C1)CC)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCCOCC3=CC=CC=C3

InChI

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