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

Systemtic Name: ethyl 4-[2-[2-(pyridin-3-ylmethyl)-4,5-dihydroimidazol-1-yl]ethylcarbamoylamino]benzoate Openeye Name: ethyl 4-[2-[2-(3-pyridylmethyl)-4,5-dihydroimidazol-1-yl]ethylcarbamoylamino]benzoate CAS Name: 4-[[oxo-[2-[2-(3-pyridinylmethyl)-4,5-dihydroimidazol-1-yl]ethylamino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(pyridin-3-ylmethyl)-4,5-dihydroimidazol-1-yl]ethylcarbamoylamino]benzoate Traditional Name: 4-[2-[2-(3-pyridylmethyl)-2-imidazolin-1-yl]ethylcarbamoylamino]benzoic acid ethyl ester Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NCCN2CCN=C2CC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NCCN2CCN=C2CC3=CN=CC=C3

InChI

InChI=1S/C21H25N5O3/c1-2-29-20(27)17-5-7-18(8-6-17)25-21(28)24-11-13-26-12-10-23-19(26)14-16-4-3-9-22-15-16/h3-9,15H,2,10-14H2,1H3,(H2,24,25,28)