(2-azanyl-2-oxidanylidene-ethyl) 3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxylic acid (2-amino-2-keto-ethyl) ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O4/c1-26-16-9-5-8-15(10-16)19-17(20(25)27-13-18(21)24)12-23(22-19)11-14-6-3-2-4-7-14/h2-10,12H,11,13H2,1H3,(H2,21,24)