2-[(4-carbamimidoylphenyl)amino]-2-[5-ethoxy-2-fluoranyl-3-(1-piperidin-1-ylpropan-2-yloxy)phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[5-ethoxy-2-fluoranyl-3-(1-piperidin-1-ylpropan-2-yloxy)phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[5-ethoxy-2-fluoro-3-[1-methyl-2-(1-piperidyl)ethoxy]phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[5-ethoxy-2-fluoro-3-[1-(1-piperidinyl)propan-2-yloxy]phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[5-ethoxy-2-fluoro-3-(1-piperidin-1-ylpropan-2-yloxy)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[5-ethoxy-2-fluoro-3-(1-methyl-2-piperidino-ethoxy)phenyl]acetic acid Formula: C25H33FN4O4 MolecularWeight: 472.552323

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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)OC(C)CN3CCCCC3

Isomeric SMILES

CCOC1=CC(=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)F)OC(C)CN3CCCCC3

InChI

InChI=1S/C25H33FN4O4/c1-3-33-19-13-20(23(25(31)32)29-18-9-7-17(8-10-18)24(27)28)22(26)21(14-19)34-16(2)15-30-11-5-4-6-12-30/h7-10,13-14,16,23,29H,3-6,11-12,15H2,1-2H3,(H3,27,28)(H,31,32)