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

Systemtic Name: (2-methylphenyl)methyl (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: o-tolylmethyl (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-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)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 (2-methylbenzyl) ester Formula: C22H21ClN2O2 MolecularWeight: 380.86734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)C=CC2=C(N(N=C2C)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1COC(=O)/C=C/C2=C(N(N=C2C)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H21ClN2O2/c1-16-8-6-7-11-19(16)15-27-21(26)13-12-20-17(2)24-25(22(20)23)14-18-9-4-3-5-10-18/h3-13H,14-15H2,1-2H3/b13-12+