methyl 2-fluoranyl-6-[3-fluoranyl-4-[[[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]carbamoylamino]methyl]phenyl]benzoate

Systemtic Name: methyl 2-fluoranyl-6-[3-fluoranyl-4-[[[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]carbamoylamino]methyl]phenyl]benzoate Openeye Name: methyl 2-fluoro-6-[3-fluoro-4-[[[4-[4-(4-pyridyl)piperazin-1-yl]phenyl]carbamoylamino]methyl]phenyl]benzoate CAS Name: 2-fluoro-6-[3-fluoro-4-[[[oxo-[4-(4-pyridin-4-yl-1-piperazinyl)anilino]methyl]amino]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-fluoro-6-[3-fluoro-4-[[[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]carbamoylamino]methyl]phenyl]benzoate Traditional Name: 2-fluoro-6-[3-fluoro-4-[[[4-[4-(4-pyridyl)piperazino]phenyl]carbamoylamino]methyl]phenyl]benzoic acid methyl ester Formula: C31H29F2N5O3 MolecularWeight: 557.590466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1F)C2=CC(=C(C=C2)CNC(=O)NC3=CC=C(C=C3)N4CCN(CC4)C5=CC=NC=C5)F

Isomeric SMILES

COC(=O)C1=C(C=CC=C1F)C2=CC(=C(C=C2)CNC(=O)NC3=CC=C(C=C3)N4CCN(CC4)C5=CC=NC=C5)F

InChI

InChI=1S/C31H29F2N5O3/c1-41-30(39)29-26(3-2-4-27(29)32)21-5-6-22(28(33)19-21)20-35-31(40)36-23-7-9-24(10-8-23)37-15-17-38(18-16-37)25-11-13-34-14-12-25/h2-14,19H,15-18,20H2,1H3,(H2,35,36,40)