2-[4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]phenoxy]ethanenitrile Openeye Name: 2-[4-[1,1-dimethyl-4-(3-phenoxyphenyl)butyl]phenoxy]acetonitrile CAS Name: 2-[4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]phenoxy]acetonitrile IUPAC Name: 2-[4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]phenoxy]acetonitrile Traditional Name: 2-[4-[1,1-dimethyl-4-(3-phenoxyphenyl)butyl]phenoxy]acetonitrile Formula: C26H27NO2 MolecularWeight: 385.49808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)OCC#N

Isomeric SMILES

CC(C)(CCCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)OCC#N

InChI

InChI=1S/C26H27NO2/c1-26(2,22-13-15-23(16-14-22)28-19-18-27)17-7-9-21-8-6-12-25(20-21)29-24-10-4-3-5-11-24/h3-6,8,10-16,20H,7,9,17,19H2,1-2H3