[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-tert-butylbenzoate

Systemtic Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-tert-butylbenzoate Openeye Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=NN2C3CCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=NN2C3CCCC3

InChI

InChI=1S/C21H27N3O3/c1-21(2,3)16-10-8-15(9-11-16)20(26)27-14-19(25)23-18-12-13-22-24(18)17-6-4-5-7-17/h8-13,17H,4-7,14H2,1-3H3,(H,23,25)