3-(azepan-1-yl)-1-[4-(4-butoxybutoxy)-3-ethyl-phenyl]propan-1-one

Systemtic Name: 3-(azepan-1-yl)-1-[4-(4-butoxybutoxy)-3-ethyl-phenyl]propan-1-one Openeye Name: 3-(azepan-1-yl)-1-[4-(4-butoxybutoxy)-3-ethyl-phenyl]propan-1-one CAS Name: 3-(1-azepanyl)-1-[4-(4-butoxybutoxy)-3-ethylphenyl]-1-propanone IUPAC Name: 3-(azepan-1-yl)-1-[4-(4-butoxybutoxy)-3-ethylphenyl]propan-1-one Traditional Name: 3-(azepan-1-yl)-1-[4-(4-butoxybutoxy)-3-ethyl-phenyl]propan-1-one Formula: C25H41NO3 MolecularWeight: 403.59794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCCOC1=C(C=C(C=C1)C(=O)CCN2CCCCCC2)CC

Isomeric SMILES

CCCCOCCCCOC1=C(C=C(C=C1)C(=O)CCN2CCCCCC2)CC

InChI

InChI=1S/C25H41NO3/c1-3-5-18-28-19-10-11-20-29-25-13-12-23(21-22(25)4-2)24(27)14-17-26-15-8-6-7-9-16-26/h12-13,21H,3-11,14-20H2,1-2H3