(4-butoxyphenyl) 4-(5-pentylpyridin-2-yl)benzoate

Systemtic Name: (4-butoxyphenyl) 4-(5-pentylpyridin-2-yl)benzoate Openeye Name: (4-butoxyphenyl) 4-(5-pentyl-2-pyridyl)benzoate CAS Name: 4-(5-pentyl-2-pyridinyl)benzoic acid (4-butoxyphenyl) ester IUPAC Name: (4-butoxyphenyl) 4-(5-pentylpyridin-2-yl)benzoate Traditional Name: 4-(5-amyl-2-pyridyl)benzoic acid (4-butoxyphenyl) ester Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCC

Isomeric SMILES

CCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCC

InChI

InChI=1S/C27H31NO3/c1-3-5-7-8-21-9-18-26(28-20-21)22-10-12-23(13-11-22)27(29)31-25-16-14-24(15-17-25)30-19-6-4-2/h9-18,20H,3-8,19H2,1-2H3