methyl 3-[1-[4-(3,3-dimethylbutylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate

Systemtic Name: methyl 3-[1-[4-(3,3-dimethylbutylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate Openeye Name: methyl 3-[1-[4-(3,3-dimethylbutylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[1-[4-[(3,3-dimethylbutylamino)-oxomethyl]phenyl]-3,5-dimethyl-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[4-(3,3-dimethylbutylcarbamoyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate Traditional Name: 3-[1-[4-(3,3-dimethylbutylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propionic acid methyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCCC(C)(C)C)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCCC(C)(C)C)C)CCC(=O)OC

InChI

InChI=1S/C22H31N3O3/c1-15-19(11-12-20(26)28-6)16(2)25(24-15)18-9-7-17(8-10-18)21(27)23-14-13-22(3,4)5/h7-10H,11-14H2,1-6H3,(H,23,27)