(3-methoxyphenyl)methyl 4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzoate

Systemtic Name: (3-methoxyphenyl)methyl 4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzoate Openeye Name: (3-methoxyphenyl)methyl 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoate CAS Name: 4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]benzoic acid (3-methoxyphenyl)methyl ester IUPAC Name: (3-methoxyphenyl)methyl 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoate Traditional Name: 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoic acid m-anisyl ester Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OCC3=CC(=CC=C3)OC)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OCC3=CC(=CC=C3)OC)C)Br

InChI

InChI=1S/C21H21BrN2O3/c1-14-20(22)15(2)24(23-14)12-16-7-9-18(10-8-16)21(25)27-13-17-5-4-6-19(11-17)26-3/h4-11H,12-13H2,1-3H3