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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[5-ethoxy-2-fluoranyl-3-(2-piperidin-4-ylethoxy)phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[5-ethoxy-2-fluoro-3-[2-(4-piperidyl)ethoxy]phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[5-ethoxy-2-fluoro-3-[2-(4-piperidinyl)ethoxy]phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[5-ethoxy-2-fluoro-3-(2-piperidin-4-ylethoxy)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[5-ethoxy-2-fluoro-3-[2-(4-piperidyl)ethoxy]phenyl]acetic acid Formula: C24H31FN4O4 MolecularWeight: 458.525743

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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)OCCC3CCNCC3

Isomeric SMILES

CCOC1=CC(=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)F)OCCC3CCNCC3

InChI

InChI=1S/C24H31FN4O4/c1-2-32-18-13-19(21(25)20(14-18)33-12-9-15-7-10-28-11-8-15)22(24(30)31)29-17-5-3-16(4-6-17)23(26)27/h3-6,13-15,22,28-29H,2,7-12H2,1H3,(H3,26,27)(H,30,31)