2-[(4-carbamimidoylphenyl)amino]-2-[5-ethoxy-2-fluoranyl-3-(piperidin-4-ylmethoxy)phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[5-ethoxy-2-fluoranyl-3-(piperidin-4-ylmethoxy)phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[5-ethoxy-2-fluoro-3-(4-piperidylmethoxy)phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[5-ethoxy-2-fluoro-3-(4-piperidinylmethoxy)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[5-ethoxy-2-fluoro-3-(piperidin-4-ylmethoxy)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[5-ethoxy-2-fluoro-3-(4-piperidylmethoxy)phenyl]acetic acid Formula: C23H29FN4O4 MolecularWeight: 444.499163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)F)OCC3CCNCC3

Isomeric SMILES

CCOC1=CC(=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)F)OCC3CCNCC3

InChI

InChI=1S/C23H29FN4O4/c1-2-31-17-11-18(20(24)19(12-17)32-13-14-7-9-27-10-8-14)21(23(29)30)28-16-5-3-15(4-6-16)22(25)26/h3-6,11-12,14,21,27-28H,2,7-10,13H2,1H3,(H3,25,26)(H,29,30)