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

Systemtic Name: phenyl 3-[2-[[[2-[bis(azanyl)methylideneamino]-5-(trifluoromethyl)phenyl]carbonylamino]methyl]-3,5-bis(fluoranyl)phenyl]propanoate Openeye Name: phenyl 3-[3,5-difluoro-2-[[[2-guanidino-5-(trifluoromethyl)benzoyl]amino]methyl]phenyl]propanoate CAS Name: 3-[2-[[[[2-(diaminomethylideneamino)-5-(trifluoromethyl)phenyl]-oxomethyl]amino]methyl]-3,5-difluorophenyl]propanoic acid phenyl ester IUPAC Name: phenyl 3-[2-[[[2-(diaminomethylideneamino)-5-(trifluoromethyl)benzoyl]amino]methyl]-3,5-difluorophenyl]propanoate Traditional Name: 3-[3,5-difluoro-2-[[[2-guanidino-5-(trifluoromethyl)benzoyl]amino]methyl]phenyl]propionic acid phenyl ester Formula: C25H21F5N4O3 MolecularWeight: 520.451256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21F5N4O3/c26-16-10-14(6-9-22(35)37-17-4-2-1-3-5-17)19(20(27)12-16)13-33-23(36)18-11-15(25(28,29)30)7-8-21(18)34-24(31)32/h1-5,7-8,10-12H,6,9,13H2,(H,33,36)(H4,31,32,34)