2-[3,4-bis(phenylmethoxy)-2-[2-(3-phenylmethoxyphenyl)ethyl]phenyl]ethanenitrile

Systemtic Name: 2-[3,4-bis(phenylmethoxy)-2-[2-(3-phenylmethoxyphenyl)ethyl]phenyl]ethanenitrile Openeye Name: 2-[3,4-dibenzyloxy-2-[2-(3-benzyloxyphenyl)ethyl]phenyl]acetonitrile CAS Name: 2-[3,4-bis(phenylmethoxy)-2-[2-(3-phenylmethoxyphenyl)ethyl]phenyl]acetonitrile IUPAC Name: 2-[3,4-bis(phenylmethoxy)-2-[2-(3-phenylmethoxyphenyl)ethyl]phenyl]acetonitrile Traditional Name: 2-[3,4-dibenzoxy-2-[2-(3-benzoxyphenyl)ethyl]phenyl]acetonitrile Formula: C37H33NO3 MolecularWeight: 539.66282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C(=C(C=C2)CC#N)CCC3=CC(=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C(=C(C=C2)CC#N)CCC3=CC(=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C37H33NO3/c38-24-23-33-20-22-36(40-27-31-13-6-2-7-14-31)37(41-28-32-15-8-3-9-16-32)35(33)21-19-29-17-10-18-34(25-29)39-26-30-11-4-1-5-12-30/h1-18,20,22,25H,19,21,23,26-28H2