methyl 4-[[[2-(pyridin-4-ylmethylamino)phenyl]carbonylamino]oxymethyl]benzoate

Systemtic Name: methyl 4-[[[2-(pyridin-4-ylmethylamino)phenyl]carbonylamino]oxymethyl]benzoate Openeye Name: methyl 4-[[[2-(4-pyridylmethylamino)benzoyl]amino]oxymethyl]benzoate CAS Name: 4-[[[oxo-[2-(pyridin-4-ylmethylamino)phenyl]methyl]amino]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(pyridin-4-ylmethylamino)benzoyl]amino]oxymethyl]benzoate Traditional Name: 4-[[[2-(4-pyridylmethylamino)benzoyl]amino]oxymethyl]benzoic acid methyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CONC(=O)C2=CC=CC=C2NCC3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CONC(=O)C2=CC=CC=C2NCC3=CC=NC=C3

InChI

InChI=1S/C22H21N3O4/c1-28-22(27)18-8-6-17(7-9-18)15-29-25-21(26)19-4-2-3-5-20(19)24-14-16-10-12-23-13-11-16/h2-13,24H,14-15H2,1H3,(H,25,26)