(4-pentoxyphenyl) 2,3-dicyano-4-(5-heptylpyrimidin-2-yl)benzoate

Systemtic Name: (4-pentoxyphenyl) 2,3-dicyano-4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: (4-pentoxyphenyl) 2,3-dicyano-4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 2,3-dicyano-4-(5-heptyl-2-pyrimidinyl)benzoic acid (4-pentoxyphenyl) ester IUPAC Name: (4-pentoxyphenyl) 2,3-dicyano-4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 2,3-dicyano-4-(5-heptylpyrimidin-2-yl)benzoic acid (4-amoxyphenyl) ester Formula: C31H34N4O3 MolecularWeight: 510.62666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCC)C#N)C#N

InChI

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