3-[(2S)-6-[ethyl(phenyl)amino]hex-4-yn-2-yl]oxypropanenitrile

Systemtic Name: 3-[(2S)-6-[ethyl(phenyl)amino]hex-4-yn-2-yl]oxypropanenitrile Openeye Name: 3-[(1S)-5-(N-ethylanilino)-1-methyl-pent-3-ynoxy]propanenitrile CAS Name: 3-[(2S)-6-(N-ethylanilino)hex-4-yn-2-yl]oxypropanenitrile IUPAC Name: 3-[(2S)-6-(N-ethylanilino)hex-4-yn-2-yl]oxypropanenitrile Traditional Name: 3-[(1S)-5-(N-ethylanilino)-1-methyl-pent-3-ynoxy]propionitrile Formula: C17H22N2O MolecularWeight: 270.36938

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC#CCC(C)OCCC#N)C1=CC=CC=C1

Isomeric SMILES

CCN(CC#CC[C@H](C)OCCC#N)C1=CC=CC=C1

InChI

InChI=1S/C17H22N2O/c1-3-19(17-11-5-4-6-12-17)14-8-7-10-16(2)20-15-9-13-18/h4-6,11-12,16H,3,9-10,14-15H2,1-2H3/t16-/m0/s1