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

Systemtic Name: methyl 3-[3,5-dimethyl-1-[4-(phenethylcarbamoyl)phenyl]pyrazol-4-yl]propanoate Openeye Name: methyl 3-[3,5-dimethyl-1-[4-(phenethylcarbamoyl)phenyl]pyrazol-4-yl]propanoate CAS Name: 3-[3,5-dimethyl-1-[4-[oxo-(phenethylamino)methyl]phenyl]-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3,5-dimethyl-1-[4-(phenethylcarbamoyl)phenyl]pyrazol-4-yl]propanoate Traditional Name: 3-[3,5-dimethyl-1-[4-(phenethylcarbamoyl)phenyl]pyrazol-4-yl]propionic acid methyl ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3)C)CCC(=O)OC

InChI

InChI=1S/C24H27N3O3/c1-17-22(13-14-23(28)30-3)18(2)27(26-17)21-11-9-20(10-12-21)24(29)25-16-15-19-7-5-4-6-8-19/h4-12H,13-16H2,1-3H3,(H,25,29)