tert-butyl 4-[2-(4-phenethylpyridin-3-yl)ethyl]benzoate

Systemtic Name: tert-butyl 4-[2-(4-phenethylpyridin-3-yl)ethyl]benzoate Openeye Name: tert-butyl 4-[2-(4-phenethyl-3-pyridyl)ethyl]benzoate CAS Name: 4-[2-(4-phenethyl-3-pyridinyl)ethyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-phenethylpyridin-3-yl)ethyl]benzoate Traditional Name: 4-[2-(4-phenethyl-3-pyridyl)ethyl]benzoic acid tert-butyl ester Formula: C26H29NO2 MolecularWeight: 387.51396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)CCC2=C(C=CN=C2)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CCC2=C(C=CN=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C26H29NO2/c1-26(2,3)29-25(28)23-14-10-21(11-15-23)12-16-24-19-27-18-17-22(24)13-9-20-7-5-4-6-8-20/h4-8,10-11,14-15,17-19H,9,12-13,16H2,1-3H3