2-[[2-(dimethylcarbamoylamino)pyridin-4-yl]methylamino]benzoic acid

Systemtic Name: 2-[[2-(dimethylcarbamoylamino)pyridin-4-yl]methylamino]benzoic acid Openeye Name: 2-[[2-(dimethylcarbamoylamino)-4-pyridyl]methylamino]benzoic acid CAS Name: 2-[[2-[[dimethylamino(oxo)methyl]amino]-4-pyridinyl]methylamino]benzoic acid IUPAC Name: 2-[[2-(dimethylcarbamoylamino)pyridin-4-yl]methylamino]benzoic acid Traditional Name: 2-[[2-(dimethylcarbamoylamino)-4-pyridyl]methylamino]benzoic acid Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NC1=NC=CC(=C1)CNC2=CC=CC=C2C(=O)O

Isomeric SMILES

CN(C)C(=O)NC1=NC=CC(=C1)CNC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H18N4O3/c1-20(2)16(23)19-14-9-11(7-8-17-14)10-18-13-6-4-3-5-12(13)15(21)22/h3-9,18H,10H2,1-2H3,(H,21,22)(H,17,19,23)