ethyl 4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-1-(oxan-2-yl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-1-(oxan-2-yl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-1-tetrahydropyran-2-yl-pyrazole-3-carboxylate CAS Name: 4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-1-(2-oxanyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-1-(oxan-2-yl)pyrazole-3-carboxylate Traditional Name: 4-[[(2,4-dimethoxybenzyl)amino]methyl]-1-tetrahydropyran-2-yl-pyrazole-3-carboxylic acid ethyl ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1CNCC2=C(C=C(C=C2)OC)OC)C3CCCCO3

Isomeric SMILES

CCOC(=O)C1=NN(C=C1CNCC2=C(C=C(C=C2)OC)OC)C3CCCCO3

InChI

InChI=1S/C21H29N3O5/c1-4-28-21(25)20-16(14-24(23-20)19-7-5-6-10-29-19)13-22-12-15-8-9-17(26-2)11-18(15)27-3/h8-9,11,14,19,22H,4-7,10,12-13H2,1-3H3