[4-(5-propylpyridin-2-yl)phenyl] 4-butoxybenzoate

Systemtic Name: [4-(5-propylpyridin-2-yl)phenyl] 4-butoxybenzoate Openeye Name: [4-(5-propyl-2-pyridyl)phenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [4-(5-propyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-propylpyridin-2-yl)phenyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [4-(5-propyl-2-pyridyl)phenyl] ester Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=C3)CCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=C3)CCC

InChI

InChI=1S/C25H27NO3/c1-3-5-17-28-22-12-10-21(11-13-22)25(27)29-23-14-8-20(9-15-23)24-16-7-19(6-4-2)18-26-24/h7-16,18H,3-6,17H2,1-2H3