2-[4-[(E)-dodec-1-enyl]pyrazol-1-yl]-2-phenyl-ethanoate

Systemtic Name: 2-[4-[(E)-dodec-1-enyl]pyrazol-1-yl]-2-phenyl-ethanoate Openeye Name: 2-[4-[(E)-dodec-1-enyl]pyrazol-1-yl]-2-phenyl-acetate CAS Name: 2-[4-[(E)-dodec-1-enyl]-1-pyrazolyl]-2-phenylacetate IUPAC Name: 2-[4-[(E)-dodec-1-enyl]pyrazol-1-yl]-2-phenylacetate Traditional Name: 2-[4-[(E)-dodec-1-enyl]pyrazol-1-yl]-2-phenyl-acetate Formula: C23H31N2O2- MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CC1=CN(N=C1)C(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCC/C=C/C1=CN(N=C1)C(C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C23H32N2O2/c1-2-3-4-5-6-7-8-9-10-12-15-20-18-24-25(19-20)22(23(26)27)21-16-13-11-14-17-21/h11-19,22H,2-10H2,1H3,(H,26,27)/p-1/b15-12+