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

Systemtic Name: methyl 3-[1-[4-(butan-2-ylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate Openeye Name: methyl 3-[3,5-dimethyl-1-[4-(sec-butylcarbamoyl)phenyl]pyrazol-4-yl]propanoate CAS Name: 3-[1-[4-[(butan-2-ylamino)-oxomethyl]phenyl]-3,5-dimethyl-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[4-(butan-2-ylcarbamoyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate Traditional Name: 3-[3,5-dimethyl-1-[4-(sec-butylcarbamoyl)phenyl]pyrazol-4-yl]propionic acid methyl ester Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3/c1-6-13(2)21-20(25)16-7-9-17(10-8-16)23-15(4)18(14(3)22-23)11-12-19(24)26-5/h7-10,13H,6,11-12H2,1-5H3,(H,21,25)