[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate CAS Name: 1,3,5-trimethyl-4-pyrazolecarboxylic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1,3,5-trimethylpyrazole-4-carboxylate Traditional Name: 1,3,5-trimethylpyrazole-4-carboxylic acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)OCC(=O)NCC2=CC(=CC=C2)OC

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)OCC(=O)NCC2=CC(=CC=C2)OC

InChI

InChI=1S/C17H21N3O4/c1-11-16(12(2)20(3)19-11)17(22)24-10-15(21)18-9-13-6-5-7-14(8-13)23-4/h5-8H,9-10H2,1-4H3,(H,18,21)