[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-azanyl-3-[3-(trifluoromethyl)phenyl]propanoate

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-azanyl-3-[3-(trifluoromethyl)phenyl]propanoate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-3-[3-(trifluoromethyl)phenyl]propanoate CAS Name: 3-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid [2-[[oxo-[(6-phenyl-3-pyridazinyl)amino]methyl]amino]phenyl] ester IUPAC Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] 3-amino-3-[3-(trifluoromethyl)phenyl]propanoate Traditional Name: 3-amino-3-[3-(trifluoromethyl)phenyl]propionic acid [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl] ester Formula: C27H22F3N5O3 MolecularWeight: 521.49049

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=O)NC3=CC=CC=C3OC(=O)CC(C4=CC(=CC=C4)C(F)(F)F)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=O)NC3=CC=CC=C3OC(=O)CC(C4=CC(=CC=C4)C(F)(F)F)N

InChI

InChI=1S/C27H22F3N5O3/c28-27(29,30)19-10-6-9-18(15-19)20(31)16-25(36)38-23-12-5-4-11-22(23)32-26(37)33-24-14-13-21(34-35-24)17-7-2-1-3-8-17/h1-15,20H,16,31H2,(H2,32,33,35,37)