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

Systemtic Name: (4-pentanoylphenyl) 4-(5-pentylpyridin-2-yl)benzoate Openeye Name: (4-pentanoylphenyl) 4-(5-pentyl-2-pyridyl)benzoate CAS Name: 4-(5-pentyl-2-pyridinyl)benzoic acid [4-(1-oxopentyl)phenyl] ester IUPAC Name: (4-pentanoylphenyl) 4-(5-pentylpyridin-2-yl)benzoate Traditional Name: 4-(5-amyl-2-pyridyl)benzoic acid (4-valerylphenyl) ester Formula: C28H31NO3 MolecularWeight: 429.55064

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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)C(=O)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO3/c1-3-5-7-8-21-10-19-26(29-20-21)22-11-13-24(14-12-22)28(31)32-25-17-15-23(16-18-25)27(30)9-6-4-2/h10-20H,3-9H2,1-2H3