2-methyl-N-[4-(3-methylbutanoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: 2-methyl-N-[4-(3-methylbutanoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: 2-methyl-N-[4-(3-methylbutanoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: 2-methyl-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: 2-methyl-N-[4-(3-methylbutanoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H24N2O4 MolecularWeight: 368.42626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

Isomeric SMILES

CC1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

InChI

InChI=1S/C21H24N2O4/c1-13(2)12-19(24)22-15-8-10-16(11-9-15)23-21(25)20-14(3)26-17-6-4-5-7-18(17)27-20/h4-11,13-14,20H,12H2,1-3H3,(H,22,24)(H,23,25)