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

Systemtic Name: N-[3-(pentanoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[3-(pentanoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[3-(1-oxopentylamino)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[3-(pentanoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[3-(valerylamino)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C20H22N2O4 MolecularWeight: 354.39968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4/c1-2-3-7-19(23)21-15-5-4-6-16(13-15)22-20(24)14-8-9-17-18(12-14)26-11-10-25-17/h4-6,8-9,12-13H,2-3,7,10-11H2,1H3,(H,21,23)(H,22,24)