2-[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]oxyethyl benzoate

Systemtic Name: 2-[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]oxyethyl benzoate Openeye Name: 2-[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]oxyethyl benzoate CAS Name: benzoic acid 2-[(E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoprop-2-enoxy]ethyl ester IUPAC Name: 2-[(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]oxyethyl benzoate Traditional Name: benzoic acid 2-[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acryloyl]oxyethyl ester Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)OCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)OCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H22N2O4/c1-17-21(18(2)25(24-17)20-11-7-4-8-12-20)13-14-22(26)28-15-16-29-23(27)19-9-5-3-6-10-19/h3-14H,15-16H2,1-2H3/b14-13+