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

Systemtic Name: methyl 3-[1-[4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate Openeye Name: methyl 3-[1-[4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[1-[4-[(1,3-benzodioxol-5-ylamino)-oxomethyl]phenyl]-3,5-dimethyl-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate Traditional Name: 3-[1-[4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propionic acid methyl ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)C)CCC(=O)OC

InChI

InChI=1S/C23H23N3O5/c1-14-19(9-11-22(27)29-3)15(2)26(25-14)18-7-4-16(5-8-18)23(28)24-17-6-10-20-21(12-17)31-13-30-20/h4-8,10,12H,9,11,13H2,1-3H3,(H,24,28)