4-[2-[4-[10-(3-oxidanylbutan-2-yloxy)decoxy]phenyl]ethynyl]benzenecarbonitrile

Systemtic Name: 4-[2-[4-[10-(3-oxidanylbutan-2-yloxy)decoxy]phenyl]ethynyl]benzenecarbonitrile Openeye Name: 4-[2-[4-[10-(2-hydroxy-1-methyl-propoxy)decoxy]phenyl]ethynyl]benzonitrile CAS Name: 4-[2-[4-[10-(3-hydroxybutan-2-yloxy)decoxy]phenyl]ethynyl]benzonitrile IUPAC Name: 4-[2-[4-[10-(3-hydroxybutan-2-yloxy)decoxy]phenyl]ethynyl]benzonitrile Traditional Name: 4-[2-[4-[10-(2-hydroxy-1-methyl-propoxy)decoxy]phenyl]ethynyl]benzonitrile Formula: C29H37NO3 MolecularWeight: 447.60898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)OCCCCCCCCCCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#N)O

Isomeric SMILES

CC(C(C)OCCCCCCCCCCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C29H37NO3/c1-24(31)25(2)32-21-9-7-5-3-4-6-8-10-22-33-29-19-17-27(18-20-29)12-11-26-13-15-28(23-30)16-14-26/h13-20,24-25,31H,3-10,21-22H2,1-2H3