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

Systemtic Name: methyl 3-[3,5-dimethyl-1-[4-(4-phenylbutylcarbamoyl)phenyl]pyrazol-4-yl]propanoate Openeye Name: methyl 3-[3,5-dimethyl-1-[4-(4-phenylbutylcarbamoyl)phenyl]pyrazol-4-yl]propanoate CAS Name: 3-[3,5-dimethyl-1-[4-[oxo-(4-phenylbutylamino)methyl]phenyl]-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3,5-dimethyl-1-[4-(4-phenylbutylcarbamoyl)phenyl]pyrazol-4-yl]propanoate Traditional Name: 3-[3,5-dimethyl-1-[4-(4-phenylbutylcarbamoyl)phenyl]pyrazol-4-yl]propionic acid methyl ester Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCCCCC3=CC=CC=C3)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCCCCC3=CC=CC=C3)C)CCC(=O)OC

InChI

InChI=1S/C26H31N3O3/c1-19-24(16-17-25(30)32-3)20(2)29(28-19)23-14-12-22(13-15-23)26(31)27-18-8-7-11-21-9-5-4-6-10-21/h4-6,9-10,12-15H,7-8,11,16-18H2,1-3H3,(H,27,31)