methyl 2-[(3-aminocarbonylphenyl)-[3-(4-aminophenyl)propyl]amino]ethanoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: methyl 2-[(3-aminocarbonylphenyl)-[3-(4-aminophenyl)propyl]amino]ethanoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: methyl 2-[N-[3-(4-aminophenyl)propyl]-3-carbamoyl-anilino]acetate; 2,2,2-trifluoroacetic acid CAS Name: 2-[N-[3-(4-aminophenyl)propyl]-3-carbamoylanilino]acetic acid methyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: methyl 2-[N-[3-(4-aminophenyl)propyl]-3-carbamoylanilino]acetate; 2,2,2-trifluoroacetic acid Traditional Name: 2-[N-[3-(4-aminophenyl)propyl]-3-carbamoyl-anilino]acetic acid methyl ester; 2,2,2-trifluoroacetic acid Formula: C21H24F3N3O5 MolecularWeight: 455.42757

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(CCCC1=CC=C(C=C1)N)C2=CC=CC(=C2)C(=O)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

COC(=O)CN(CCCC1=CC=C(C=C1)N)C2=CC=CC(=C2)C(=O)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H23N3O3.C2HF3O2/c1-25-18(23)13-22(17-6-2-5-15(12-17)19(21)24)11-3-4-14-7-9-16(20)10-8-14;3-2(4,5)1(6)7/h2,5-10,12H,3-4,11,13,20H2,1H3,(H2,21,24);(H,6,7)