[1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: [1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-1-methyl-2-oxo-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid [1-oxo-1-[(2-propan-2-yl-3-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-butyric acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)OC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)C(C)OC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H25N3O6/c1-13(2)24-19(8-9-22-24)23-21(27)14(3)30-20(26)7-5-16(25)15-4-6-17-18(12-15)29-11-10-28-17/h4,6,8-9,12-14H,5,7,10-11H2,1-3H3,(H,23,27)