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

Systemtic Name: methyl 3-[(2-phenoxyethanoylamino)methyl]-5-(2-pyrazol-1-ylethanoylamino)benzoate Openeye Name: methyl 3-[[(2-phenoxyacetyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate CAS Name: 3-[[(1-oxo-2-phenoxyethyl)amino]methyl]-5-[[1-oxo-2-(1-pyrazolyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(2-phenoxyacetyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate Traditional Name: 3-[[(2-phenoxyacetyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoic acid methyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C=CC=N2)CNC(=O)COC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C=CC=N2)CNC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H22N4O5/c1-30-22(29)17-10-16(13-23-21(28)15-31-19-6-3-2-4-7-19)11-18(12-17)25-20(27)14-26-9-5-8-24-26/h2-12H,13-15H2,1H3,(H,23,28)(H,25,27)