(4-heptoxyphenyl) 4-(5-ethylpyridin-2-yl)benzoate

Systemtic Name: (4-heptoxyphenyl) 4-(5-ethylpyridin-2-yl)benzoate Openeye Name: (4-heptoxyphenyl) 4-(5-ethyl-2-pyridyl)benzoate CAS Name: 4-(5-ethyl-2-pyridinyl)benzoic acid (4-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 4-(5-ethylpyridin-2-yl)benzoate Traditional Name: 4-(5-ethyl-2-pyridyl)benzoic acid (4-heptoxyphenyl) ester Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=C3)CC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=C3)CC

InChI

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