methyl 2-methyl-5-[[(E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]oxymethyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[[(E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]oxymethyl]furan-3-carboxylate Openeye Name: methyl 5-[[(E)-3-(1-benzylpyrazol-4-yl)prop-2-enoyl]oxymethyl]-2-methyl-furan-3-carboxylate CAS Name: 2-methyl-5-[[(E)-1-oxo-3-[1-(phenylmethyl)-4-pyrazolyl]prop-2-enoxy]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[(E)-3-(1-benzylpyrazol-4-yl)prop-2-enoyl]oxymethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[(E)-3-(1-benzylpyrazol-4-yl)acryloyl]oxymethyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)COC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O5/c1-15-19(21(25)26-2)10-18(28-15)14-27-20(24)9-8-17-11-22-23(13-17)12-16-6-4-3-5-7-16/h3-11,13H,12,14H2,1-2H3/b9-8+