(4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-2-propenoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[1-(2-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]acrylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C28H33ClN2O2 MolecularWeight: 465.02682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C=CC2=C(N(N=C2C)CC3=CC=CC=C3Cl)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C=CC2=C(N(N=C2C)CC3=CC=CC=C3Cl)C)C)C(C)(C)C

InChI

InChI=1S/C28H33ClN2O2/c1-18-14-23(28(5,6)7)15-19(2)25(18)17-33-27(32)13-12-24-20(3)30-31(21(24)4)16-22-10-8-9-11-26(22)29/h8-15H,16-17H2,1-7H3