methyl 4-[3-(5-cyano-2-phenylmethoxy-phenyl)propyl]benzoate

Systemtic Name: methyl 4-[3-(5-cyano-2-phenylmethoxy-phenyl)propyl]benzoate Openeye Name: methyl 4-[3-(2-benzyloxy-5-cyano-phenyl)propyl]benzoate CAS Name: 4-[3-(5-cyano-2-phenylmethoxyphenyl)propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(5-cyano-2-phenylmethoxyphenyl)propyl]benzoate Traditional Name: 4-[3-(2-benzoxy-5-cyano-phenyl)propyl]benzoic acid methyl ester Formula: C25H23NO3 MolecularWeight: 385.45502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCCC2=C(C=CC(=C2)C#N)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCCC2=C(C=CC(=C2)C#N)OCC3=CC=CC=C3

InChI

InChI=1S/C25H23NO3/c1-28-25(27)22-13-10-19(11-14-22)8-5-9-23-16-21(17-26)12-15-24(23)29-18-20-6-3-2-4-7-20/h2-4,6-7,10-16H,5,8-9,18H2,1H3