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

Systemtic Name: [4-(5-propylpyridin-2-yl)phenyl] 4-hexoxybenzoate Openeye Name: [4-(5-propyl-2-pyridyl)phenyl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid [4-(5-propyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-propylpyridin-2-yl)phenyl] 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [4-(5-propyl-2-pyridyl)phenyl] ester Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=C3)CCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=C3)CCC

InChI

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