N-[4-(3-methylbutanoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H22N2O4/c1-13(2)11-19(23)21-15-4-6-16(7-5-15)22-20(24)14-3-8-17-18(12-14)26-10-9-25-17/h3-8,12-13H,9-11H2,1-2H3,(H,21,23)(H,22,24)