ethyl 3-(3-carbamimidoylphenyl)-3-[[4-pyrrolidin-1-ylcarbonyl-3-(trifluoromethyl)phenyl]carbonylamino]propanoate

Systemtic Name: ethyl 3-(3-carbamimidoylphenyl)-3-[[4-pyrrolidin-1-ylcarbonyl-3-(trifluoromethyl)phenyl]carbonylamino]propanoate Openeye Name: ethyl 3-(3-carbamimidoylphenyl)-3-[[4-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)benzoyl]amino]propanoate CAS Name: 3-(3-carbamimidoylphenyl)-3-[[oxo-[4-[oxo(1-pyrrolidinyl)methyl]-3-(trifluoromethyl)phenyl]methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(3-carbamimidoylphenyl)-3-[[4-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)benzoyl]amino]propanoate Traditional Name: 3-(3-amidinophenyl)-3-[[4-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)benzoyl]amino]propionic acid ethyl ester Formula: C25H27F3N4O4 MolecularWeight: 504.50149

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC(=C1)C(=N)N)NC(=O)C2=CC(=C(C=C2)C(=O)N3CCCC3)C(F)(F)F

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC(=C1)C(=N)N)NC(=O)C2=CC(=C(C=C2)C(=O)N3CCCC3)C(F)(F)F

InChI

InChI=1S/C25H27F3N4O4/c1-2-36-21(33)14-20(15-6-5-7-16(12-15)22(29)30)31-23(34)17-8-9-18(19(13-17)25(26,27)28)24(35)32-10-3-4-11-32/h5-9,12-13,20H,2-4,10-11,14H2,1H3,(H3,29,30)(H,31,34)