3-[2,3-bis(oxidanyl)propyl-(phenylmethyl)amino]-4-(oxan-2-yloxy)butanenitrile

Systemtic Name: 3-[2,3-bis(oxidanyl)propyl-(phenylmethyl)amino]-4-(oxan-2-yloxy)butanenitrile Openeye Name: 3-[benzyl(2,3-dihydroxypropyl)amino]-4-tetrahydropyran-2-yloxy-butanenitrile CAS Name: 3-[2,3-dihydroxypropyl-(phenylmethyl)amino]-4-(2-oxanyloxy)butanenitrile IUPAC Name: 3-[benzyl(2,3-dihydroxypropyl)amino]-4-(oxan-2-yloxy)butanenitrile Traditional Name: 3-[benzyl(glyceryl)amino]-4-tetrahydropyran-2-yloxy-butyronitrile Formula: C19H28N2O4 MolecularWeight: 348.43662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC(CC#N)N(CC2=CC=CC=C2)CC(CO)O

Isomeric SMILES

C1CCOC(C1)OCC(CC#N)N(CC2=CC=CC=C2)CC(CO)O

InChI

InChI=1S/C19H28N2O4/c20-10-9-17(15-25-19-8-4-5-11-24-19)21(13-18(23)14-22)12-16-6-2-1-3-7-16/h1-3,6-7,17-19,22-23H,4-5,8-9,11-15H2