methyl 3-[[(4-tert-butylphenyl)carbonylamino]methyl]-5-(2-pyrazol-1-ylethanoylamino)benzoate

Systemtic Name: methyl 3-[[(4-tert-butylphenyl)carbonylamino]methyl]-5-(2-pyrazol-1-ylethanoylamino)benzoate Openeye Name: methyl 3-[[(4-tert-butylbenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate CAS Name: 3-[[[(4-tert-butylphenyl)-oxomethyl]amino]methyl]-5-[[1-oxo-2-(1-pyrazolyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(4-tert-butylbenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate Traditional Name: 3-[[(4-tert-butylbenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoic acid methyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=CC(=CC(=C2)C(=O)OC)NC(=O)CN3C=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=CC(=CC(=C2)C(=O)OC)NC(=O)CN3C=CC=N3

InChI

InChI=1S/C25H28N4O4/c1-25(2,3)20-8-6-18(7-9-20)23(31)26-15-17-12-19(24(32)33-4)14-21(13-17)28-22(30)16-29-11-5-10-27-29/h5-14H,15-16H2,1-4H3,(H,26,31)(H,28,30)