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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(2-phenoxyethoxy)phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(2-phenoxyethoxy)phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(2-phenoxyethoxy)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(2-phenoxyethoxy)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-ethoxy-5-(2-phenoxyethoxy)phenyl]acetic acid Formula: C25H27N3O5 MolecularWeight: 449.49898

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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)OCCOC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCCOC3=CC=CC=C3

InChI

InChI=1S/C25H27N3O5/c1-2-31-21-14-18(15-22(16-21)33-13-12-32-20-6-4-3-5-7-20)23(25(29)30)28-19-10-8-17(9-11-19)24(26)27/h3-11,14-16,23,28H,2,12-13H2,1H3,(H3,26,27)(H,29,30)