[4-(5-decylpyrimidin-2-yl)phenyl] 3-cyano-4-heptoxy-benzoate

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-cyano-4-heptoxy-benzoate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-cyano-4-heptoxy-benzoate CAS Name: 3-cyano-4-heptoxybenzoic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-cyano-4-heptoxybenzoate Traditional Name: 3-cyano-4-heptoxy-benzoic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C35H45N3O3 MolecularWeight: 555.7501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCCC)C#N

InChI

InChI=1S/C35H45N3O3/c1-3-5-7-9-10-11-12-14-16-28-26-37-34(38-27-28)29-17-20-32(21-18-29)41-35(39)30-19-22-33(31(24-30)25-36)40-23-15-13-8-6-4-2/h17-22,24,26-27H,3-16,23H2,1-2H3