methyl 4-[[(6-piperidin-1-ylpyridin-3-yl)carbonylamino]carbamoyl]benzoate

Systemtic Name: methyl 4-[[(6-piperidin-1-ylpyridin-3-yl)carbonylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[[6-(1-piperidyl)pyridine-3-carbonyl]amino]carbamoyl]benzoate CAS Name: 4-[oxo-[[oxo-[6-(1-piperidinyl)-3-pyridinyl]methyl]hydrazo]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(6-piperidin-1-ylpyridine-3-carbonyl)amino]carbamoyl]benzoate Traditional Name: 4-[[(6-piperidinonicotinoyl)amino]carbamoyl]benzoic acid methyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CN=C(C=C2)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CN=C(C=C2)N3CCCCC3

InChI

InChI=1S/C20H22N4O4/c1-28-20(27)15-7-5-14(6-8-15)18(25)22-23-19(26)16-9-10-17(21-13-16)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12H2,1H3,(H,22,25)(H,23,26)