5-(4-hexadecoxy-3-methoxy-phenyl)-1,2-dimethyl-pyrazol-3-one

Systemtic Name: 5-(4-hexadecoxy-3-methoxy-phenyl)-1,2-dimethyl-pyrazol-3-one Openeye Name: 5-(4-hexadecoxy-3-methoxy-phenyl)-1,2-dimethyl-pyrazol-3-one CAS Name: 5-(4-hexadecoxy-3-methoxyphenyl)-1,2-dimethyl-3-pyrazolone IUPAC Name: 5-(4-hexadecoxy-3-methoxyphenyl)-1,2-dimethylpyrazol-3-one Traditional Name: 5-(4-cetyloxy-3-methoxy-phenyl)-1,2-dimethyl-3-pyrazolin-3-one Formula: C28H46N2O3 MolecularWeight: 458.67644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C2=CC(=O)N(N2C)C)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C2=CC(=O)N(N2C)C)OC

InChI

InChI=1S/C28H46N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-33-26-20-19-24(22-27(26)32-4)25-23-28(31)30(3)29(25)2/h19-20,22-23H,5-18,21H2,1-4H3