4-[2-[2-(pyridin-3-ylmethyl)-4,5-dihydroimidazol-1-yl]ethylcarbamoylamino]benzoic acid

Systemtic Name: 4-[2-[2-(pyridin-3-ylmethyl)-4,5-dihydroimidazol-1-yl]ethylcarbamoylamino]benzoic acid Openeye Name: 4-[2-[2-(3-pyridylmethyl)-4,5-dihydroimidazol-1-yl]ethylcarbamoylamino]benzoic acid CAS Name: 4-[[oxo-[2-[2-(3-pyridinylmethyl)-4,5-dihydroimidazol-1-yl]ethylamino]methyl]amino]benzoic acid IUPAC Name: 4-[2-[2-(pyridin-3-ylmethyl)-4,5-dihydroimidazol-1-yl]ethylcarbamoylamino]benzoic acid Traditional Name: 4-[2-[2-(3-pyridylmethyl)-2-imidazolin-1-yl]ethylcarbamoylamino]benzoic acid Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=N1)CC2=CN=CC=C2)CCNC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(C(=N1)CC2=CN=CC=C2)CCNC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H21N5O3/c25-18(26)15-3-5-16(6-4-15)23-19(27)22-9-11-24-10-8-21-17(24)12-14-2-1-7-20-13-14/h1-7,13H,8-12H2,(H,25,26)(H2,22,23,27)