(4-propoxyphenyl) 2,3-dicyano-4-(5-pentylpyrimidin-2-yl)benzoate

Systemtic Name: (4-propoxyphenyl) 2,3-dicyano-4-(5-pentylpyrimidin-2-yl)benzoate Openeye Name: (4-propoxyphenyl) 2,3-dicyano-4-(5-pentylpyrimidin-2-yl)benzoate CAS Name: 2,3-dicyano-4-(5-pentyl-2-pyrimidinyl)benzoic acid (4-propoxyphenyl) ester IUPAC Name: (4-propoxyphenyl) 2,3-dicyano-4-(5-pentylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-amylpyrimidin-2-yl)-2,3-dicyano-benzoic acid (4-propoxyphenyl) ester Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCC)C#N)C#N

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCC)C#N)C#N

InChI

InChI=1S/C27H26N4O3/c1-3-5-6-7-19-17-30-26(31-18-19)22-12-13-23(25(16-29)24(22)15-28)27(32)34-21-10-8-20(9-11-21)33-14-4-2/h8-13,17-18H,3-7,14H2,1-2H3