phenyl 3-[2-[[[2-[bis(azanyl)methylideneamino]phenyl]carbonylamino]methyl]-3,5-bis(fluoranyl)phenyl]propanoate

Systemtic Name: phenyl 3-[2-[[[2-[bis(azanyl)methylideneamino]phenyl]carbonylamino]methyl]-3,5-bis(fluoranyl)phenyl]propanoate Openeye Name: phenyl 3-[3,5-difluoro-2-[[(2-guanidinobenzoyl)amino]methyl]phenyl]propanoate CAS Name: 3-[2-[[[[2-(diaminomethylideneamino)phenyl]-oxomethyl]amino]methyl]-3,5-difluorophenyl]propanoic acid phenyl ester IUPAC Name: phenyl 3-[2-[[[2-(diaminomethylideneamino)benzoyl]amino]methyl]-3,5-difluorophenyl]propanoate Traditional Name: 3-[3,5-difluoro-2-[[(2-guanidinobenzoyl)amino]methyl]phenyl]propionic acid phenyl ester Formula: C24H22F2N4O3 MolecularWeight: 452.453286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)CCC2=CC(=CC(=C2CNC(=O)C3=CC=CC=C3N=C(N)N)F)F

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)CCC2=CC(=CC(=C2CNC(=O)C3=CC=CC=C3N=C(N)N)F)F

InChI

InChI=1S/C24H22F2N4O3/c25-16-12-15(10-11-22(31)33-17-6-2-1-3-7-17)19(20(26)13-16)14-29-23(32)18-8-4-5-9-21(18)30-24(27)28/h1-9,12-13H,10-11,14H2,(H,29,32)(H4,27,28,30)