3-[3-[2-(4-ethanoylphenoxy)ethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(4-ethanoylphenoxy)ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(4-acetylphenoxy)acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-(4-acetylphenoxy)-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(4-acetylphenoxy)acetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(4-acetylphenoxy)acetyl]indol-1-yl]propionitrile Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C21H18N2O3/c1-15(24)16-7-9-17(10-8-16)26-14-21(25)19-13-23(12-4-11-22)20-6-3-2-5-18(19)20/h2-3,5-10,13H,4,12,14H2,1H3