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

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-cyano-4-nonoxy-benzoate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-cyano-4-nonoxy-benzoate CAS Name: 3-cyano-4-nonoxybenzoic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-cyano-4-nonoxybenzoate Traditional Name: 3-cyano-4-nonoxy-benzoic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C37H49N3O3 MolecularWeight: 583.80326

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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)OCCCCCCCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C37H49N3O3/c1-3-5-7-9-11-12-14-16-18-30-28-39-36(40-29-30)31-19-22-34(23-20-31)43-37(41)32-21-24-35(33(26-32)27-38)42-25-17-15-13-10-8-6-4-2/h19-24,26,28-29H,3-18,25H2,1-2H3