[2,6-di(propan-2-yl)phenyl] 4-oxidanylidene-4-(2-pyrazol-1-ylethylamino)butanoate

Systemtic Name: [2,6-di(propan-2-yl)phenyl] 4-oxidanylidene-4-(2-pyrazol-1-ylethylamino)butanoate Openeye Name: (2,6-diisopropylphenyl) 4-oxo-4-(2-pyrazol-1-ylethylamino)butanoate CAS Name: 4-oxo-4-[2-(1-pyrazolyl)ethylamino]butanoic acid [2,6-di(propan-2-yl)phenyl] ester IUPAC Name: [2,6-di(propan-2-yl)phenyl] 4-oxo-4-(2-pyrazol-1-ylethylamino)butanoate Traditional Name: 4-keto-4-(2-pyrazol-1-ylethylamino)butyric acid (2,6-diisopropylphenyl) ester Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)CCC(=O)NCCN2C=CC=N2

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)CCC(=O)NCCN2C=CC=N2

InChI

InChI=1S/C21H29N3O3/c1-15(2)17-7-5-8-18(16(3)4)21(17)27-20(26)10-9-19(25)22-12-14-24-13-6-11-23-24/h5-8,11,13,15-16H,9-10,12,14H2,1-4H3,(H,22,25)