1-(2-azanylpropanoyl)-N-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(2-azanylpropanoyl)-N-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]pyrrolidine-2-carboxamide Openeye Name: 1-(2-aminopropanoyl)-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrrolidine-2-carboxamide CAS Name: 1-(2-amino-1-oxopropyl)-N-[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-aminopropanoyl)-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrrolidine-2-carboxamide Traditional Name: 1-alanyl-N-[2-keto-4-(trifluoromethyl)chromen-7-yl]pyrrolidine-2-carboxamide Formula: C18H18F3N3O4 MolecularWeight: 397.34843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)N

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)N

InChI

InChI=1S/C18H18F3N3O4/c1-9(22)17(27)24-6-2-3-13(24)16(26)23-10-4-5-11-12(18(19,20)21)8-15(25)28-14(11)7-10/h4-5,7-9,13H,2-3,6,22H2,1H3,(H,23,26)