methyl 4-[3-[[5-(trifluoromethyl)pyridin-2-yl]amino]propylcarbamoyl]benzoate

Systemtic Name: methyl 4-[3-[[5-(trifluoromethyl)pyridin-2-yl]amino]propylcarbamoyl]benzoate Openeye Name: methyl 4-[3-[[5-(trifluoromethyl)-2-pyridyl]amino]propylcarbamoyl]benzoate CAS Name: 4-[oxo-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[[5-(trifluoromethyl)pyridin-2-yl]amino]propylcarbamoyl]benzoate Traditional Name: 4-[3-[[5-(trifluoromethyl)-2-pyridyl]amino]propylcarbamoyl]benzoic acid methyl ester Formula: C18H18F3N3O3 MolecularWeight: 381.34903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCCCNC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCCCNC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H18F3N3O3/c1-27-17(26)13-5-3-12(4-6-13)16(25)23-10-2-9-22-15-8-7-14(11-24-15)18(19,20)21/h3-8,11H,2,9-10H2,1H3,(H,22,24)(H,23,25)