[2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 1H-pyrazole-5-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 1H-pyrazole-5-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxo-ethyl] 1H-pyrazole-5-carboxylate CAS Name: 1H-pyrazole-5-carboxylic acid [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 1H-pyrazole-5-carboxylate Traditional Name: 1H-pyrazole-5-carboxylic acid [2-[ethyl(veratryl)amino]-2-keto-ethyl] ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)COC(=O)C2=CC=NN2

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)COC(=O)C2=CC=NN2

InChI

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