(4-butylphenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone

Systemtic Name: (4-butylphenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone Openeye Name: (4-butylphenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone CAS Name: (4-butylphenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone IUPAC Name: (4-butylphenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone Traditional Name: (4-butylphenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone Formula: C20H22O3 MolecularWeight: 310.38688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H22O3/c1-2-3-5-15-6-8-16(9-7-15)20(21)17-10-11-18-19(14-17)23-13-4-12-22-18/h6-11,14H,2-5,12-13H2,1H3