2-[(4-carbamimidoylphenyl)amino]-2-[5-ethoxy-2-fluoranyl-4-(2-hydroxyethyloxy)phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[5-ethoxy-2-fluoranyl-4-(2-hydroxyethyloxy)phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[5-ethoxy-2-fluoro-4-(2-hydroxyethoxy)phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[5-ethoxy-2-fluoro-4-(2-hydroxyethoxy)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[5-ethoxy-2-fluoro-4-(2-hydroxyethoxy)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[5-ethoxy-2-fluoro-4-(2-hydroxyethoxy)phenyl]acetic acid Formula: C19H22FN3O5 MolecularWeight: 391.393483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)F)OCCO

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)F)OCCO

InChI

InChI=1S/C19H22FN3O5/c1-2-27-15-9-13(14(20)10-16(15)28-8-7-24)17(19(25)26)23-12-5-3-11(4-6-12)18(21)22/h3-6,9-10,17,23-24H,2,7-8H2,1H3,(H3,21,22)(H,25,26)