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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-4-(2-oxidanylidenepentoxy)phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-4-(2-oxopentoxy)phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-4-(2-oxopentoxy)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-4-(2-oxopentoxy)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-ethoxy-4-(2-ketopentoxy)phenyl]acetic acid Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)COC1=C(C=C(C=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCC

Isomeric SMILES

CCCC(=O)COC1=C(C=C(C=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCC

InChI

InChI=1S/C22H27N3O5/c1-3-5-17(26)13-30-18-11-8-15(12-19(18)29-4-2)20(22(27)28)25-16-9-6-14(7-10-16)21(23)24/h6-12,20,25H,3-5,13H2,1-2H3,(H3,23,24)(H,27,28)