diethyl 2-[[4-(pyridin-3-ylmethylamino)phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[4-(pyridin-3-ylmethylamino)phenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[4-(3-pyridylmethylamino)benzoyl]amino]pentanedioate CAS Name: 2-[[oxo-[4-(3-pyridinylmethylamino)phenyl]methyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-(pyridin-3-ylmethylamino)benzoyl]amino]pentanedioate Traditional Name: 2-[[4-(3-pyridylmethylamino)benzoyl]amino]glutaric acid diethyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2=CN=CC=C2

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2=CN=CC=C2

InChI

InChI=1S/C22H27N3O5/c1-3-29-20(26)12-11-19(22(28)30-4-2)25-21(27)17-7-9-18(10-8-17)24-15-16-6-5-13-23-14-16/h5-10,13-14,19,24H,3-4,11-12,15H2,1-2H3,(H,25,27)