3-[[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-4-methyl-benzoic acid

Systemtic Name: 3-[[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-4-methyl-benzoic acid Openeye Name: 3-[[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-4-methyl-benzoic acid Formula: C17H20BrN3O3 MolecularWeight: 394.263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)CN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)CN2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C17H20BrN3O3/c1-9-5-6-13(17(23)24)7-14(9)19-16(22)10(2)8-21-12(4)15(18)11(3)20-21/h5-7,10H,8H2,1-4H3,(H,19,22)(H,23,24)