methyl 3-[[(E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]oxymethyl]benzoate

Systemtic Name: methyl 3-[[(E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]oxymethyl]benzoate Openeye Name: methyl 3-[[(E)-3-(1-benzylpyrazol-4-yl)prop-2-enoyl]oxymethyl]benzoate CAS Name: 3-[[(E)-1-oxo-3-[1-(phenylmethyl)-4-pyrazolyl]prop-2-enoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(1-benzylpyrazol-4-yl)prop-2-enoyl]oxymethyl]benzoate Traditional Name: 3-[[(E)-3-(1-benzylpyrazol-4-yl)acryloyl]oxymethyl]benzoic acid methyl ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)COC(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)COC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O4/c1-27-22(26)20-9-5-8-18(12-20)16-28-21(25)11-10-19-13-23-24(15-19)14-17-6-3-2-4-7-17/h2-13,15H,14,16H2,1H3/b11-10+