methyl 3-[[2-(2-methylphenyl)ethanoylamino]methyl]-5-(2-pyrazol-1-ylethanoylamino)benzoate

Systemtic Name: methyl 3-[[2-(2-methylphenyl)ethanoylamino]methyl]-5-(2-pyrazol-1-ylethanoylamino)benzoate Openeye Name: methyl 3-[[[2-(o-tolyl)acetyl]amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate CAS Name: 3-[[[2-(2-methylphenyl)-1-oxoethyl]amino]methyl]-5-[[1-oxo-2-(1-pyrazolyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[[2-(2-methylphenyl)acetyl]amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate Traditional Name: 3-[[[2-(o-tolyl)acetyl]amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoic acid methyl ester Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NCC2=CC(=CC(=C2)C(=O)OC)NC(=O)CN3C=CC=N3

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NCC2=CC(=CC(=C2)C(=O)OC)NC(=O)CN3C=CC=N3

InChI

InChI=1S/C23H24N4O4/c1-16-6-3-4-7-18(16)13-21(28)24-14-17-10-19(23(30)31-2)12-20(11-17)26-22(29)15-27-9-5-8-25-27/h3-12H,13-15H2,1-2H3,(H,24,28)(H,26,29)