methyl 2-cyano-4-[3-(2-phenylmethoxyphenyl)propyl]benzoate

Systemtic Name: methyl 2-cyano-4-[3-(2-phenylmethoxyphenyl)propyl]benzoate Openeye Name: methyl 4-[3-(2-benzyloxyphenyl)propyl]-2-cyano-benzoate CAS Name: 2-cyano-4-[3-(2-phenylmethoxyphenyl)propyl]benzoic acid methyl ester IUPAC Name: methyl 2-cyano-4-[3-(2-phenylmethoxyphenyl)propyl]benzoate Traditional Name: 4-[3-(2-benzoxyphenyl)propyl]-2-cyano-benzoic acid methyl ester Formula: C25H23NO3 MolecularWeight: 385.45502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)CCCC2=CC=CC=C2OCC3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)CCCC2=CC=CC=C2OCC3=CC=CC=C3)C#N

InChI

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