N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-2-methyl-propyl]-2-fluoro-benzamide CAS Name: N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide IUPAC Name: N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide Traditional Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-2-methyl-propyl]-2-fluoro-benzamide Formula: C21H23FN2O4 MolecularWeight: 386.416723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC2=C(C=C1)OCCO2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC2=C(C=C1)OCCO2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H23FN2O4/c1-13(2)19(24-20(25)15-5-3-4-6-16(15)22)21(26)23-12-14-7-8-17-18(11-14)28-10-9-27-17/h3-8,11,13,19H,9-10,12H2,1-2H3,(H,23,26)(H,24,25)/t19-/m0/s1