(4-nonylphenyl) 2-cyano-4-(5-propylpyrimidin-2-yl)benzoate

Systemtic Name: (4-nonylphenyl) 2-cyano-4-(5-propylpyrimidin-2-yl)benzoate Openeye Name: (4-nonylphenyl) 2-cyano-4-(5-propylpyrimidin-2-yl)benzoate CAS Name: 2-cyano-4-(5-propyl-2-pyrimidinyl)benzoic acid (4-nonylphenyl) ester IUPAC Name: (4-nonylphenyl) 2-cyano-4-(5-propylpyrimidin-2-yl)benzoate Traditional Name: 2-cyano-4-(5-propylpyrimidin-2-yl)benzoic acid (4-nonylphenyl) ester Formula: C30H35N3O2 MolecularWeight: 469.6178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCC)C#N

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCC)C#N

InChI

InChI=1S/C30H35N3O2/c1-3-5-6-7-8-9-10-12-23-13-16-27(17-14-23)35-30(34)28-18-15-25(19-26(28)20-31)29-32-21-24(11-4-2)22-33-29/h13-19,21-22H,3-12H2,1-2H3