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

Systemtic Name: ethyl 2-[4-[(E)-dodec-1-enyl]pyrazol-1-yl]-2-phenyl-ethanoate Openeye Name: ethyl 2-[4-[(E)-dodec-1-enyl]pyrazol-1-yl]-2-phenyl-acetate CAS Name: 2-[4-[(E)-dodec-1-enyl]-1-pyrazolyl]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(E)-dodec-1-enyl]pyrazol-1-yl]-2-phenylacetate Traditional Name: 2-[4-[(E)-dodec-1-enyl]pyrazol-1-yl]-2-phenyl-acetic acid ethyl ester Formula: C25H36N2O2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CC1=CN(N=C1)C(C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCCCCCCC/C=C/C1=CN(N=C1)C(C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C25H36N2O2/c1-3-5-6-7-8-9-10-11-12-14-17-22-20-26-27(21-22)24(25(28)29-4-2)23-18-15-13-16-19-23/h13-21,24H,3-12H2,1-2H3/b17-14+