N-(4-fluorophenyl)-3-(3-methylbutanoylamino)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide

Systemtic Name: N-(4-fluorophenyl)-3-(3-methylbutanoylamino)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide Openeye Name: N-(4-fluorophenyl)-3-(3-methylbutanoylamino)-4,5,6,7-tetrahydrobenzofuran-2-carboxamide CAS Name: N-(4-fluorophenyl)-3-[(3-methyl-1-oxobutyl)amino]-4,5,6,7-tetrahydrobenzofuran-2-carboxamide IUPAC Name: N-(4-fluorophenyl)-3-(3-methylbutanoylamino)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide Traditional Name: N-(4-fluorophenyl)-3-(isovalerylamino)-4,5,6,7-tetrahydrobenzofuran-2-carboxamide Formula: C20H23FN2O3 MolecularWeight: 358.406623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=C(OC2=C1CCCC2)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CC(=O)NC1=C(OC2=C1CCCC2)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H23FN2O3/c1-12(2)11-17(24)23-18-15-5-3-4-6-16(15)26-19(18)20(25)22-14-9-7-13(21)8-10-14/h7-10,12H,3-6,11H2,1-2H3,(H,22,25)(H,23,24)