2-[4-[3-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[3-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[3-[4-(2,4-dimethylbenzoyl)-1-piperidyl]-2-hydroxy-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[3-[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidinyl]-2-hydroxypropoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[3-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[3-[4-(2,4-dimethylbenzoyl)piperidino]-2-hydroxy-propoxy]phenyl]acetonitrile Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)CC(COC3=CC=C(C=C3)CC#N)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)CC(COC3=CC=C(C=C3)CC#N)O)C

InChI

InChI=1S/C25H30N2O3/c1-18-3-8-24(19(2)15-18)25(29)21-10-13-27(14-11-21)16-22(28)17-30-23-6-4-20(5-7-23)9-12-26/h3-8,15,21-22,28H,9-11,13-14,16-17H2,1-2H3