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

Systemtic Name: (4-nonoxyphenyl) 2,3-dicyano-4-(5-propylpyrimidin-2-yl)benzoate Openeye Name: (4-nonoxyphenyl) 2,3-dicyano-4-(5-propylpyrimidin-2-yl)benzoate CAS Name: 2,3-dicyano-4-(5-propyl-2-pyrimidinyl)benzoic acid (4-nonoxyphenyl) ester IUPAC Name: (4-nonoxyphenyl) 2,3-dicyano-4-(5-propylpyrimidin-2-yl)benzoate Traditional Name: 2,3-dicyano-4-(5-propylpyrimidin-2-yl)benzoic acid (4-nonoxyphenyl) ester Formula: C31H34N4O3 MolecularWeight: 510.62666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=NC=C(C=N3)CCC)C#N)C#N

Isomeric SMILES

CCCCCCCCCOC1=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/C31H34N4O3/c1-3-5-6-7-8-9-10-18-37-24-12-14-25(15-13-24)38-31(36)27-17-16-26(28(19-32)29(27)20-33)30-34-21-23(11-4-2)22-35-30/h12-17,21-22H,3-11,18H2,1-2H3