[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoate CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)propanoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propionic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O5/c1-15-19(16(2)26(25-15)18-6-4-3-5-7-18)9-11-23(28)29-13-22(27)24-17-8-10-20-21(12-17)31-14-30-20/h3-8,10,12H,9,11,13-14H2,1-2H3,(H,24,27)