[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2,5-dimethyl-1-propan-2-yl-pyrrole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2,5-dimethyl-1-propan-2-yl-pyrrole-3-carboxylate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 1-isopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-propan-2-yl-3-pyrrolecarboxylic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxylate Traditional Name: 1-isopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3/c1-14(2)24-15(3)12-18(16(24)4)21(26)27-13-20(25)23-11-10-19(22-23)17-8-6-5-7-9-17/h5-9,12,14H,10-11,13H2,1-4H3