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

Systemtic Name: methyl 3-[3,5-dimethyl-1-[4-(3-phenylpropylcarbamoyl)phenyl]pyrazol-4-yl]propanoate Openeye Name: methyl 3-[3,5-dimethyl-1-[4-(3-phenylpropylcarbamoyl)phenyl]pyrazol-4-yl]propanoate CAS Name: 3-[3,5-dimethyl-1-[4-[oxo-(3-phenylpropylamino)methyl]phenyl]-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3,5-dimethyl-1-[4-(3-phenylpropylcarbamoyl)phenyl]pyrazol-4-yl]propanoate Traditional Name: 3-[3,5-dimethyl-1-[4-(3-phenylpropylcarbamoyl)phenyl]pyrazol-4-yl]propionic acid methyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCCCC3=CC=CC=C3)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCCCC3=CC=CC=C3)C)CCC(=O)OC

InChI

InChI=1S/C25H29N3O3/c1-18-23(15-16-24(29)31-3)19(2)28(27-18)22-13-11-21(12-14-22)25(30)26-17-7-10-20-8-5-4-6-9-20/h4-6,8-9,11-14H,7,10,15-17H2,1-3H3,(H,26,30)