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

Systemtic Name: methyl 3-[3,5-dimethyl-1-[4-(4-methylpentan-2-ylcarbamoyl)phenyl]pyrazol-4-yl]propanoate Openeye Name: methyl 3-[1-[4-(1,3-dimethylbutylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[3,5-dimethyl-1-[4-[(4-methylpentan-2-ylamino)-oxomethyl]phenyl]-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3,5-dimethyl-1-[4-(4-methylpentan-2-ylcarbamoyl)phenyl]pyrazol-4-yl]propanoate Traditional Name: 3-[1-[4-(1,3-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)NC(C)CC(C)C)C)CCC(=O)OC

Isomeric SMILES

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

InChI

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