dimethyl 3-[4-[(2-acetyloxy-2-phenyl-ethanoyl)amino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(2-acetyloxy-2-phenyl-ethanoyl)amino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(2-acetoxy-2-phenyl-acetyl)amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[(2-acetyloxy-1-oxo-2-phenylethyl)amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(2-acetyloxy-2-phenylacetyl)amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[(2-acetoxy-2-phenyl-acetyl)amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C20H23N3O7 MolecularWeight: 417.41252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=CC=C1)C(=O)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC

Isomeric SMILES

CC(=O)OC(C1=CC=CC=C1)C(=O)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC

InChI

InChI=1S/C20H23N3O7/c1-13(24)30-19(14-7-5-4-6-8-14)20(27)22-15-11-21-23(12-15)16(9-17(25)28-2)10-18(26)29-3/h4-8,11-12,16,19H,9-10H2,1-3H3,(H,22,27)