ethyl 2-[2-[2-(1-ethylpyrazol-4-yl)phenyl]ethyl]-5-phenyl-pentanoate

Systemtic Name: ethyl 2-[2-[2-(1-ethylpyrazol-4-yl)phenyl]ethyl]-5-phenyl-pentanoate Openeye Name: ethyl 2-[2-[2-(1-ethylpyrazol-4-yl)phenyl]ethyl]-5-phenyl-pentanoate CAS Name: 2-[2-[2-(1-ethyl-4-pyrazolyl)phenyl]ethyl]-5-phenylpentanoic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(1-ethylpyrazol-4-yl)phenyl]ethyl]-5-phenylpentanoate Traditional Name: 2-[2-[2-(1-ethylpyrazol-4-yl)phenyl]ethyl]-5-phenyl-valeric acid ethyl ester Formula: C26H32N2O2 MolecularWeight: 404.54448

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2=CC=CC=C2CCC(CCCC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCN1C=C(C=N1)C2=CC=CC=C2CCC(CCCC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C26H32N2O2/c1-3-28-20-24(19-27-28)25-16-9-8-14-22(25)17-18-23(26(29)30-4-2)15-10-13-21-11-6-5-7-12-21/h5-9,11-12,14,16,19-20,23H,3-4,10,13,15,17-18H2,1-2H3