3-[2-cyanoethyl-[3-(4-ethoxyphenyl)carbonylpentan-3-yl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[3-(4-ethoxyphenyl)carbonylpentan-3-yl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[1-(4-ethoxybenzoyl)-1-ethyl-propyl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[3-[(4-ethoxyphenyl)-oxomethyl]pentan-3-yl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[3-(4-ethoxybenzoyl)pentan-3-yl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[1-(4-ethoxybenzoyl)-1-ethyl-propyl]amino]propionitrile Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)C1=CC=C(C=C1)OCC)N(CCC#N)CCC#N

Isomeric SMILES

CCC(CC)(C(=O)C1=CC=C(C=C1)OCC)N(CCC#N)CCC#N

InChI

InChI=1S/C20H27N3O2/c1-4-20(5-2,23(15-7-13-21)16-8-14-22)19(24)17-9-11-18(12-10-17)25-6-3/h9-12H,4-8,15-16H2,1-3H3