[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid [2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)COC(=O)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)COC(=O)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H21N3O5/c1-12(2)21-16(7-8-19-21)20-17(22)10-24-18(23)6-4-13-3-5-14-15(9-13)26-11-25-14/h3,5,7-9,12H,4,6,10-11H2,1-2H3,(H,20,22)