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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(5-ethoxy-2-fluoranyl-3-piperidin-4-yloxy-phenyl)ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[5-ethoxy-2-fluoro-3-(4-piperidyloxy)phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[5-ethoxy-2-fluoro-3-(4-piperidinyloxy)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-(5-ethoxy-2-fluoro-3-piperidin-4-yloxyphenyl)acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[5-ethoxy-2-fluoro-3-(4-piperidyloxy)phenyl]acetic acid Formula: C22H27FN4O4 MolecularWeight: 430.472583

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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)OC3CCNCC3

Isomeric SMILES

CCOC1=CC(=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)F)OC3CCNCC3

InChI

InChI=1S/C22H27FN4O4/c1-2-30-16-11-17(19(23)18(12-16)31-15-7-9-26-10-8-15)20(22(28)29)27-14-5-3-13(4-6-14)21(24)25/h3-6,11-12,15,20,26-27H,2,7-10H2,1H3,(H3,24,25)(H,28,29)