2-(4-decoxyphenyl)-6-[(2R)-octan-2-yl]oxy-3-phenyl-benzenecarbonitrile

Systemtic Name: 2-(4-decoxyphenyl)-6-[(2R)-octan-2-yl]oxy-3-phenyl-benzenecarbonitrile Openeye Name: 2-(4-decoxyphenyl)-6-[(1R)-1-methylheptoxy]-3-phenyl-benzonitrile CAS Name: 2-(4-decoxyphenyl)-6-[(2R)-octan-2-yl]oxy-3-phenylbenzonitrile IUPAC Name: 2-(4-decoxyphenyl)-6-[(2R)-octan-2-yl]oxy-3-phenylbenzonitrile Traditional Name: 2-(4-decoxyphenyl)-6-[(1R)-1-methylheptoxy]-3-phenyl-benzonitrile Formula: C37H49NO2 MolecularWeight: 539.79046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=C(C=CC(=C2C#N)OC(C)CCCCCC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=C(C=CC(=C2C#N)O[C@H](C)CCCCCC)C3=CC=CC=C3

InChI

InChI=1S/C37H49NO2/c1-4-6-8-10-11-12-13-18-28-39-33-24-22-32(23-25-33)37-34(31-20-16-14-17-21-31)26-27-36(35(37)29-38)40-30(3)19-15-9-7-5-2/h14,16-17,20-27,30H,4-13,15,18-19,28H2,1-3H3/t30-/m1/s1