N-[7-(4-methylphenyl)carbonyl-2,3-dihydro-1,4-benzodioxin-6-yl]pentanamide

Systemtic Name: N-[7-(4-methylphenyl)carbonyl-2,3-dihydro-1,4-benzodioxin-6-yl]pentanamide Openeye Name: N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]pentanamide CAS Name: N-[7-[(4-methylphenyl)-oxomethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]pentanamide IUPAC Name: N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]pentanamide Traditional Name: N-(7-p-toluoyl-2,3-dihydro-1,4-benzodioxin-6-yl)valeramide Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)C)OCCO2

Isomeric SMILES

CCCCC(=O)NC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)C)OCCO2

InChI

InChI=1S/C21H23NO4/c1-3-4-5-20(23)22-17-13-19-18(25-10-11-26-19)12-16(17)21(24)15-8-6-14(2)7-9-15/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,23)