2-[4-[2-[4-(cyanomethyl)phenoxy]-3-tetradecoxy-propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[2-[4-(cyanomethyl)phenoxy]-3-tetradecoxy-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[2-[4-(cyanomethyl)phenoxy]-3-tetradecoxy-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[2-[4-(cyanomethyl)phenoxy]-3-tetradecoxypropoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[2-[4-(cyanomethyl)phenoxy]-3-tetradecoxypropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[2-[4-(cyanomethyl)phenoxy]-3-myristyloxy-propoxy]phenyl]acetonitrile Formula: C33H46N2O3 MolecularWeight: 518.72994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOCC(COC1=CC=C(C=C1)CC#N)OC2=CC=C(C=C2)CC#N

Isomeric SMILES

CCCCCCCCCCCCCCOCC(COC1=CC=C(C=C1)CC#N)OC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C33H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-26-36-27-33(38-32-20-16-30(17-21-32)23-25-35)28-37-31-18-14-29(15-19-31)22-24-34/h14-21,33H,2-13,22-23,26-28H2,1H3