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

Systemtic Name: ethyl 2-[(4-carbamimidoylphenyl)amino]-2-[5-ethoxy-2-fluoranyl-3-(1-methylpiperidin-4-yl)oxy-phenyl]ethanoate Openeye Name: ethyl 2-(4-carbamimidoylanilino)-2-[5-ethoxy-2-fluoro-3-[(1-methyl-4-piperidyl)oxy]phenyl]acetate CAS Name: 2-(4-carbamimidoylanilino)-2-[5-ethoxy-2-fluoro-3-[(1-methyl-4-piperidinyl)oxy]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-carbamimidoylanilino)-2-[5-ethoxy-2-fluoro-3-(1-methylpiperidin-4-yl)oxyphenyl]acetate Traditional Name: 2-(4-amidinoanilino)-2-[5-ethoxy-2-fluoro-3-[(1-methyl-4-piperidyl)oxy]phenyl]acetic acid ethyl ester Formula: C25H33FN4O4 MolecularWeight: 472.552323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33FN4O4/c1-4-32-19-14-20(22(26)21(15-19)34-18-10-12-30(3)13-11-18)23(25(31)33-5-2)29-17-8-6-16(7-9-17)24(27)28/h6-9,14-15,18,23,29H,4-5,10-13H2,1-3H3,(H3,27,28)