N-[5-[3-(1,3-benzodioxol-5-yl)propanoylamino]-2-methoxy-phenyl]-3-fluoranyl-benzamide

Systemtic Name: N-[5-[3-(1,3-benzodioxol-5-yl)propanoylamino]-2-methoxy-phenyl]-3-fluoranyl-benzamide Openeye Name: N-[5-[3-(1,3-benzodioxol-5-yl)propanoylamino]-2-methoxy-phenyl]-3-fluoro-benzamide CAS Name: N-[5-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-2-methoxyphenyl]-3-fluorobenzamide IUPAC Name: N-[5-[3-(1,3-benzodioxol-5-yl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide Traditional Name: N-[5-[3-(1,3-benzodioxol-5-yl)propanoylamino]-2-methoxy-phenyl]-3-fluoro-benzamide Formula: C24H21FN2O5 MolecularWeight: 436.432343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C24H21FN2O5/c1-30-20-9-7-18(13-19(20)27-24(29)16-3-2-4-17(25)12-16)26-23(28)10-6-15-5-8-21-22(11-15)32-14-31-21/h2-5,7-9,11-13H,6,10,14H2,1H3,(H,26,28)(H,27,29)