(2,3-dicyano-4-hexoxy-phenyl) 4-(5-propylpyridin-2-yl)benzoate

Systemtic Name: (2,3-dicyano-4-hexoxy-phenyl) 4-(5-propylpyridin-2-yl)benzoate Openeye Name: (2,3-dicyano-4-hexoxy-phenyl) 4-(5-propyl-2-pyridyl)benzoate CAS Name: 4-(5-propyl-2-pyridinyl)benzoic acid (2,3-dicyano-4-hexoxyphenyl) ester IUPAC Name: (2,3-dicyano-4-hexoxyphenyl) 4-(5-propylpyridin-2-yl)benzoate Traditional Name: 4-(5-propyl-2-pyridyl)benzoic acid (2,3-dicyano-4-hexoxy-phenyl) ester Formula: C29H29N3O3 MolecularWeight: 467.55886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=C3)CCC)C#N)C#N

Isomeric SMILES

CCCCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=C3)CCC)C#N)C#N

InChI

InChI=1S/C29H29N3O3/c1-3-5-6-7-17-34-27-15-16-28(25(19-31)24(27)18-30)35-29(33)23-12-10-22(11-13-23)26-14-9-21(8-4-2)20-32-26/h9-16,20H,3-8,17H2,1-2H3