(4-hexoxycarbonylphenyl) 4-(5-propylpyridin-2-yl)benzoate

Systemtic Name: (4-hexoxycarbonylphenyl) 4-(5-propylpyridin-2-yl)benzoate Openeye Name: (4-hexoxycarbonylphenyl) 4-(5-propyl-2-pyridyl)benzoate CAS Name: 4-(5-propyl-2-pyridinyl)benzoic acid [4-[hexoxy(oxo)methyl]phenyl] ester IUPAC Name: (4-hexoxycarbonylphenyl) 4-(5-propylpyridin-2-yl)benzoate Traditional Name: 4-(5-propyl-2-pyridyl)benzoic acid (4-hexoxycarbonylphenyl) ester Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=C3)CCC

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=C3)CCC

InChI

InChI=1S/C28H31NO4/c1-3-5-6-7-19-32-27(30)23-14-16-25(17-15-23)33-28(31)24-12-10-22(11-13-24)26-18-9-21(8-4-2)20-29-26/h9-18,20H,3-8,19H2,1-2H3