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

Systemtic Name: methyl 3-[[(3-methoxyphenyl)carbonylamino]methyl]-5-(2-pyrazol-1-ylethanoylamino)benzoate Openeye Name: methyl 3-[[(3-methoxybenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate CAS Name: 3-[[[(3-methoxyphenyl)-oxomethyl]amino]methyl]-5-[[1-oxo-2-(1-pyrazolyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(3-methoxybenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate Traditional Name: 3-[(m-anisoylamino)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:

COC1=CC=CC(=C1)C(=O)NCC2=CC(=CC(=C2)C(=O)OC)NC(=O)CN3C=CC=N3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NCC2=CC(=CC(=C2)C(=O)OC)NC(=O)CN3C=CC=N3

InChI

InChI=1S/C22H22N4O5/c1-30-19-6-3-5-16(12-19)21(28)23-13-15-9-17(22(29)31-2)11-18(10-15)25-20(27)14-26-8-4-7-24-26/h3-12H,13-14H2,1-2H3,(H,23,28)(H,25,27)