4-[2-(2-pyridin-4-yl-4,5-dihydroimidazol-1-yl)ethylcarbamoylamino]benzoic acid

Systemtic Name: 4-[2-(2-pyridin-4-yl-4,5-dihydroimidazol-1-yl)ethylcarbamoylamino]benzoic acid Openeye Name: 4-[2-[2-(4-pyridyl)-4,5-dihydroimidazol-1-yl]ethylcarbamoylamino]benzoic acid CAS Name: 4-[[oxo-[2-(2-pyridin-4-yl-4,5-dihydroimidazol-1-yl)ethylamino]methyl]amino]benzoic acid IUPAC Name: 4-[2-(2-pyridin-4-yl-4,5-dihydroimidazol-1-yl)ethylcarbamoylamino]benzoic acid Traditional Name: 4-[2-[2-(4-pyridyl)-2-imidazolin-1-yl]ethylcarbamoylamino]benzoic acid Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=N1)C2=CC=NC=C2)CCNC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(C(=N1)C2=CC=NC=C2)CCNC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H19N5O3/c24-17(25)14-1-3-15(4-2-14)22-18(26)21-10-12-23-11-9-20-16(23)13-5-7-19-8-6-13/h1-8H,9-12H2,(H,24,25)(H2,21,22,26)