5-[(4-chloranyl-2-methoxy-phenoxy)methyl]-N-cyclohexyl-N-prop-2-ynyl-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[(4-chloranyl-2-methoxy-phenoxy)methyl]-N-cyclohexyl-N-prop-2-ynyl-1,2-oxazole-3-carboxamide Openeye Name: 5-[(4-chloro-2-methoxy-phenoxy)methyl]-N-cyclohexyl-N-prop-2-ynyl-isoxazole-3-carboxamide CAS Name: 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-cyclohexyl-N-prop-2-ynyl-3-isoxazolecarboxamide IUPAC Name: 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-cyclohexyl-N-prop-2-ynyl-1,2-oxazole-3-carboxamide Traditional Name: 5-[(4-chloro-2-methoxy-phenoxy)methyl]-N-cyclohexyl-N-propargyl-isoxazole-3-carboxamide Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)Cl)OCC2=CC(=NO2)C(=O)N(CC#C)C3CCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)Cl)OCC2=CC(=NO2)C(=O)N(CC#C)C3CCCCC3

InChI

InChI=1S/C21H23ClN2O4/c1-3-11-24(16-7-5-4-6-8-16)21(25)18-13-17(28-23-18)14-27-19-10-9-15(22)12-20(19)26-2/h1,9-10,12-13,16H,4-8,11,14H2,2H3