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

Systemtic Name: 2-phenoxyethyl (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: 2-phenoxyethyl (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 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (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 2-phenoxyethyl ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCCOC2=CC=CC=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCCOC2=CC=CC=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H21ClN2O3/c1-17-20(22(23)25(24-17)16-18-8-4-2-5-9-18)12-13-21(26)28-15-14-27-19-10-6-3-7-11-19/h2-13H,14-16H2,1H3/b13-12+