[2,3-dicyano-4-[4-(5-propylpyridin-2-yl)phenyl]carbonyloxy-phenyl] 4-(5-propylpyridin-2-yl)benzoate

Systemtic Name: [2,3-dicyano-4-[4-(5-propylpyridin-2-yl)phenyl]carbonyloxy-phenyl] 4-(5-propylpyridin-2-yl)benzoate Openeye Name: [2,3-dicyano-4-[4-(5-propyl-2-pyridyl)benzoyl]oxy-phenyl] 4-(5-propyl-2-pyridyl)benzoate CAS Name: 4-(5-propyl-2-pyridinyl)benzoic acid [2,3-dicyano-4-[oxo-[4-(5-propyl-2-pyridinyl)phenyl]methoxy]phenyl] ester IUPAC Name: [2,3-dicyano-4-[4-(5-propylpyridin-2-yl)benzoyl]oxyphenyl] 4-(5-propylpyridin-2-yl)benzoate Traditional Name: 4-(5-propyl-2-pyridyl)benzoic acid [2,3-dicyano-4-[4-(5-propyl-2-pyridyl)benzoyl]oxy-phenyl] ester Formula: C38H30N4O4 MolecularWeight: 606.6692

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)OC(=O)C4=CC=C(C=C4)C5=NC=C(C=C5)CCC)C#N)C#N

Isomeric SMILES

CCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)OC(=O)C4=CC=C(C=C4)C5=NC=C(C=C5)CCC)C#N)C#N

InChI

InChI=1S/C38H30N4O4/c1-3-5-25-7-17-33(41-23-25)27-9-13-29(14-10-27)37(43)45-35-19-20-36(32(22-40)31(35)21-39)46-38(44)30-15-11-28(12-16-30)34-18-8-26(6-4-2)24-42-34/h7-20,23-24H,3-6H2,1-2H3