[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CN(N=C2)C

Isomeric SMILES

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CN(N=C2)C

InChI

InChI=1S/C17H21N3O5/c1-11(25-17(22)13-9-19-20(2)10-13)16(21)18-8-12-5-6-14(23-3)15(7-12)24-4/h5-7,9-11H,8H2,1-4H3,(H,18,21)