3-[1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]propanoate

Systemtic Name: 3-[1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]propanoate Openeye Name: 3-[1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]propanoate CAS Name: 3-[1-tert-butyl-3-(3,4-dimethylphenyl)-4-pyrazolyl]propanoate IUPAC Name: 3-[1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]propanoate Traditional Name: 3-[1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]propionate Formula: C18H23N2O2- MolecularWeight: 299.38742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2CCC(=O)[O-])C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2CCC(=O)[O-])C(C)(C)C)C

InChI

InChI=1S/C18H24N2O2/c1-12-6-7-14(10-13(12)2)17-15(8-9-16(21)22)11-20(19-17)18(3,4)5/h6-7,10-11H,8-9H2,1-5H3,(H,21,22)/p-1