3-[2-[2-(1,3-benzodioxol-5-yl)ethynyl]-2-oxidanyl-cyclopentyl]-4-phenyl-pentanenitrile

Systemtic Name: 3-[2-[2-(1,3-benzodioxol-5-yl)ethynyl]-2-oxidanyl-cyclopentyl]-4-phenyl-pentanenitrile Openeye Name: 3-[2-[2-(1,3-benzodioxol-5-yl)ethynyl]-2-hydroxy-cyclopentyl]-4-phenyl-pentanenitrile CAS Name: 3-[2-[2-(1,3-benzodioxol-5-yl)ethynyl]-2-hydroxycyclopentyl]-4-phenylpentanenitrile IUPAC Name: 3-[2-[2-(1,3-benzodioxol-5-yl)ethynyl]-2-hydroxycyclopentyl]-4-phenylpentanenitrile Traditional Name: 3-[2-[2-(1,3-benzodioxol-5-yl)ethynyl]-2-hydroxy-cyclopentyl]-4-phenyl-valeronitrile Formula: C25H25NO3 MolecularWeight: 387.4709

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(CC#N)C2CCCC2(C#CC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC(C1=CC=CC=C1)C(CC#N)C2CCCC2(C#CC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C25H25NO3/c1-18(20-6-3-2-4-7-20)21(12-15-26)22-8-5-13-25(22,27)14-11-19-9-10-23-24(16-19)29-17-28-23/h2-4,6-7,9-10,16,18,21-22,27H,5,8,12-13,17H2,1H3