5-[(2-chloranyl-4-fluoranyl-phenoxy)methyl]-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[(2-chloranyl-4-fluoranyl-phenoxy)methyl]-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-[(2-chloro-4-fluoro-phenoxy)methyl]-N-(isochroman-1-ylmethyl)isoxazole-3-carboxamide CAS Name: 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-3-isoxazolecarboxamide IUPAC Name: 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-[(2-chloro-4-fluoro-phenoxy)methyl]-N-(isochroman-1-ylmethyl)isoxazole-3-carboxamide Formula: C21H18ClFN2O4 MolecularWeight: 416.830023

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CNC(=O)C3=NOC(=C3)COC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1COC(C2=CC=CC=C21)CNC(=O)C3=NOC(=C3)COC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C21H18ClFN2O4/c22-17-9-14(23)5-6-19(17)28-12-15-10-18(25-29-15)21(26)24-11-20-16-4-2-1-3-13(16)7-8-27-20/h1-6,9-10,20H,7-8,11-12H2,(H,24,26)