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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(2-phenylmethoxyethoxy)phenyl]ethanoic acid Openeye Name: 2-[3-(2-benzyloxyethoxy)-5-ethoxy-phenyl]-2-(4-carbamimidoylanilino)acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(2-phenylmethoxyethoxy)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(2-phenylmethoxyethoxy)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-(2-benzoxyethoxy)-5-ethoxy-phenyl]acetic acid Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCCOCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCCOCC3=CC=CC=C3

InChI

InChI=1S/C26H29N3O5/c1-2-33-22-14-20(24(26(30)31)29-21-10-8-19(9-11-21)25(27)28)15-23(16-22)34-13-12-32-17-18-6-4-3-5-7-18/h3-11,14-16,24,29H,2,12-13,17H2,1H3,(H3,27,28)(H,30,31)