(3-fluoranyl-4-methoxy-phenyl)methyl (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H19FN2O3 MolecularWeight: 366.385563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3)F

InChI

InChI=1S/C21H19FN2O3/c1-26-20-9-7-17(11-19(20)22)15-27-21(25)10-8-18-12-23-24(14-18)13-16-5-3-2-4-6-16/h2-12,14H,13,15H2,1H3/b10-8+