[(1S)-1-pyridin-3-ylethyl] 4-(4-octoxyphenyl)benzoate

Systemtic Name: [(1S)-1-pyridin-3-ylethyl] 4-(4-octoxyphenyl)benzoate Openeye Name: [(1S)-1-(3-pyridyl)ethyl] 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid [(1S)-1-(3-pyridinyl)ethyl] ester IUPAC Name: [(1S)-1-pyridin-3-ylethyl] 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid [(1S)-1-(3-pyridyl)ethyl] ester Formula: C28H33NO3 MolecularWeight: 431.56652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)C3=CN=CC=C3

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O[C@@H](C)C3=CN=CC=C3

InChI

InChI=1S/C28H33NO3/c1-3-4-5-6-7-8-20-31-27-17-15-24(16-18-27)23-11-13-25(14-12-23)28(30)32-22(2)26-10-9-19-29-21-26/h9-19,21-22H,3-8,20H2,1-2H3/t22-/m0/s1