(phenylmethyl) 4-[3-(4-cyano-2-phenylmethoxy-phenyl)propyl]benzoate

Systemtic Name: (phenylmethyl) 4-[3-(4-cyano-2-phenylmethoxy-phenyl)propyl]benzoate Openeye Name: benzyl 4-[3-(2-benzyloxy-4-cyano-phenyl)propyl]benzoate CAS Name: 4-[3-(4-cyano-2-phenylmethoxyphenyl)propyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-(4-cyano-2-phenylmethoxyphenyl)propyl]benzoate Traditional Name: 4-[3-(2-benzoxy-4-cyano-phenyl)propyl]benzoic acid benzyl ester Formula: C31H27NO3 MolecularWeight: 461.55098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=CC(=C2)C#N)CCCC3=CC=C(C=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=CC(=C2)C#N)CCCC3=CC=C(C=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H27NO3/c32-21-27-16-17-28(30(20-27)34-22-25-8-3-1-4-9-25)13-7-12-24-14-18-29(19-15-24)31(33)35-23-26-10-5-2-6-11-26/h1-6,8-11,14-20H,7,12-13,22-23H2