2-[(4-carbamimidoylphenyl)amino]-2-[5-ethoxy-2-fluoranyl-3-(1-methylpiperidin-4-yl)oxy-phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[5-ethoxy-2-fluoranyl-3-(1-methylpiperidin-4-yl)oxy-phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[5-ethoxy-2-fluoro-3-[(1-methyl-4-piperidyl)oxy]phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[5-ethoxy-2-fluoro-3-[(1-methyl-4-piperidinyl)oxy]phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[5-ethoxy-2-fluoro-3-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[5-ethoxy-2-fluoro-3-[(1-methyl-4-piperidyl)oxy]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)OC3CCN(CC3)C

Isomeric SMILES

CCOC1=CC(=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)F)OC3CCN(CC3)C

InChI

InChI=1S/C23H29FN4O4/c1-3-31-17-12-18(20(24)19(13-17)32-16-8-10-28(2)11-9-16)21(23(29)30)27-15-6-4-14(5-7-15)22(25)26/h4-7,12-13,16,21,27H,3,8-11H2,1-2H3,(H3,25,26)(H,29,30)