(4-methoxyphenyl)methyl (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (4-methoxyphenyl)methyl (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (4-methoxyphenyl)methyl (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid p-anisyl ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC2=CC=C(C=C2)OC)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC2=CC=C(C=C2)OC)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H21ClN2O3/c1-16-20(22(23)25(24-16)14-17-6-4-3-5-7-17)12-13-21(26)28-15-18-8-10-19(27-2)11-9-18/h3-13H,14-15H2,1-2H3/b13-12+