methyl 3-[3,5-dimethyl-1-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazol-4-yl]propanoate

Systemtic Name: methyl 3-[3,5-dimethyl-1-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazol-4-yl]propanoate Openeye Name: methyl 3-[1-[4-(1,1-dimethylpropylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[3,5-dimethyl-1-[4-[(2-methylbutan-2-ylamino)-oxomethyl]phenyl]-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3,5-dimethyl-1-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazol-4-yl]propanoate Traditional Name: 3-[1-[4-(tert-amylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propionic acid methyl ester Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C1=CC=C(C=C1)N2C(=C(C(=N2)C)CCC(=O)OC)C

Isomeric SMILES

CCC(C)(C)NC(=O)C1=CC=C(C=C1)N2C(=C(C(=N2)C)CCC(=O)OC)C

InChI

InChI=1S/C21H29N3O3/c1-7-21(4,5)22-20(26)16-8-10-17(11-9-16)24-15(3)18(14(2)23-24)12-13-19(25)27-6/h8-11H,7,12-13H2,1-6H3,(H,22,26)