2-oxidanylidenepropyl (E)-3-[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: 2-oxidanylidenepropyl (E)-3-[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: acetonyl (E)-3-[1-benzyl-3-(p-tolyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl (E)-3-[1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(p-tolyl)pyrazol-4-yl]acrylic acid acetonyl ester Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OCC(=O)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)OCC(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O3/c1-17-8-10-20(11-9-17)23-21(12-13-22(27)28-16-18(2)26)15-25(24-23)14-19-6-4-3-5-7-19/h3-13,15H,14,16H2,1-2H3/b13-12+