(4-heptoxyphenyl) 2,3-dicyano-4-(5-propylpyrimidin-2-yl)benzoate

Systemtic Name: (4-heptoxyphenyl) 2,3-dicyano-4-(5-propylpyrimidin-2-yl)benzoate Openeye Name: (4-heptoxyphenyl) 2,3-dicyano-4-(5-propylpyrimidin-2-yl)benzoate CAS Name: 2,3-dicyano-4-(5-propyl-2-pyrimidinyl)benzoic acid (4-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 2,3-dicyano-4-(5-propylpyrimidin-2-yl)benzoate Traditional Name: 2,3-dicyano-4-(5-propylpyrimidin-2-yl)benzoic acid (4-heptoxyphenyl) ester Formula: C29H30N4O3 MolecularWeight: 482.5735

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=NC=C(C=N3)CCC)C#N)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=NC=C(C=N3)CCC)C#N)C#N

InChI

InChI=1S/C29H30N4O3/c1-3-5-6-7-8-16-35-22-10-12-23(13-11-22)36-29(34)25-15-14-24(26(17-30)27(25)18-31)28-32-19-21(9-4-2)20-33-28/h10-15,19-20H,3-9,16H2,1-2H3