methyl (E)-2-acetamido-3-[2-[2-[[4-[bis(azanyl)methylideneamino]-2-cyclopentyloxy-phenyl]carbonylamino]ethoxy]-4-cyano-phenyl]prop-2-enoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: methyl (E)-2-acetamido-3-[2-[2-[[4-[bis(azanyl)methylideneamino]-2-cyclopentyloxy-phenyl]carbonylamino]ethoxy]-4-cyano-phenyl]prop-2-enoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: methyl (E)-2-acetamido-3-[4-cyano-2-[2-[[2-(cyclopentoxy)-4-guanidino-benzoyl]amino]ethoxy]phenyl]prop-2-enoate; 2,2,2-trifluoroacetic acid CAS Name: (E)-2-acetamido-3-[4-cyano-2-[2-[[[2-cyclopentyloxy-4-(diaminomethylideneamino)phenyl]-oxomethyl]amino]ethoxy]phenyl]-2-propenoic acid methyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: methyl (E)-2-acetamido-3-[4-cyano-2-[2-[[2-cyclopentyloxy-4-(diaminomethylideneamino)benzoyl]amino]ethoxy]phenyl]prop-2-enoate; 2,2,2-trifluoroacetic acid Traditional Name: (E)-2-acetamido-3-[4-cyano-2-[2-[[2-(cyclopentoxy)-4-guanidino-benzoyl]amino]ethoxy]phenyl]acrylic acid methyl ester; 2,2,2-trifluoroacetic acid Formula: C30H33F3N6O8 MolecularWeight: 662.61363

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=C(C=C(C=C1)C#N)OCCNC(=O)C2=C(C=C(C=C2)N=C(N)N)OC3CCCC3)C(=O)OC.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(=O)N/C(=C/C1=C(C=C(C=C1)C#N)OCCNC(=O)C2=C(C=C(C=C2)N=C(N)N)OC3CCCC3)/C(=O)OC.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C28H32N6O6.C2HF3O2/c1-17(35)33-23(27(37)38-2)14-19-8-7-18(16-29)13-24(19)39-12-11-32-26(36)22-10-9-20(34-28(30)31)15-25(22)40-21-5-3-4-6-21;3-2(4,5)1(6)7/h7-10,13-15,21H,3-6,11-12H2,1-2H3,(H,32,36)(H,33,35)(H4,30,31,34);(H,6,7)/b23-14+;