[2-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [2-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-(2,5-diethoxy-4-morpholino-anilino)-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [2-[2,5-diethoxy-4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-(2,5-diethoxy-4-morpholino-anilino)-2-keto-ethyl] ester Formula: C21H28N4O6 MolecularWeight: 432.47022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)C3=CN(N=C3)C

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)C3=CN(N=C3)C

InChI

InChI=1S/C21H28N4O6/c1-4-29-18-11-17(25-6-8-28-9-7-25)19(30-5-2)10-16(18)23-20(26)14-31-21(27)15-12-22-24(3)13-15/h10-13H,4-9,14H2,1-3H3,(H,23,26)