5-chloranyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: 5-chloranyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: 5-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 5-chloro-N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: 5-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: 5-chloro-N-[3-(isobutyrylamino)benzyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C20H21ClN2O4 MolecularWeight: 388.84474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C20H21ClN2O4/c1-12(2)19(24)23-15-5-3-4-13(8-15)11-22-20(25)14-9-16(21)18-17(10-14)26-6-7-27-18/h3-5,8-10,12H,6-7,11H2,1-2H3,(H,22,25)(H,23,24)