methyl 7-[4-[bis(azanyl)methylideneamino]phenyl]-3-(3-carbamimidoylphenyl)heptanoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: methyl 7-[4-[bis(azanyl)methylideneamino]phenyl]-3-(3-carbamimidoylphenyl)heptanoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: methyl 3-(3-carbamimidoylphenyl)-7-(4-guanidinophenyl)heptanoate; 2,2,2-trifluoroacetic acid CAS Name: 3-(3-carbamimidoylphenyl)-7-[4-(diaminomethylideneamino)phenyl]heptanoic acid methyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-7-[4-(diaminomethylideneamino)phenyl]heptanoate; 2,2,2-trifluoroacetic acid Traditional Name: 3-(3-amidinophenyl)-7-(4-guanidinophenyl)enanthic acid methyl ester; 2,2,2-trifluoroacetic acid Formula: C26H31F6N5O6 MolecularWeight: 623.544659

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CCCCC1=CC=C(C=C1)N=C(N)N)C2=CC=CC(=C2)C(=N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

COC(=O)CC(CCCCC1=CC=C(C=C1)N=C(N)N)C2=CC=CC(=C2)C(=N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C22H29N5O2.2C2HF3O2/c1-29-20(28)14-17(16-7-4-8-18(13-16)21(23)24)6-3-2-5-15-9-11-19(12-10-15)27-22(25)26;2*3-2(4,5)1(6)7/h4,7-13,17H,2-3,5-6,14H2,1H3,(H3,23,24)(H4,25,26,27);2*(H,6,7)