[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl] propanoate; propanoic acid; urea

Systemtic Name: [3-(4,5-dihydro-1H-imidazol-2-yl)phenyl] propanoate; propanoic acid; urea Openeye Name: [3-(4,5-dihydro-1H-imidazol-2-yl)phenyl] propanoate; propionic acid; urea CAS Name: propanoic acid; propanoic acid [3-(4,5-dihydro-1H-imidazol-2-yl)phenyl] ester; urea IUPAC Name: [3-(4,5-dihydro-1H-imidazol-2-yl)phenyl] propanoate; propanoic acid; urea Traditional Name: propionic acid; propionic acid [3-(2-imidazolin-2-yl)phenyl] ester; urea Formula: C16H24N4O5 MolecularWeight: 352.38556

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)O.CCC(=O)OC1=CC=CC(=C1)C2=NCCN2.C(=O)(N)N

Isomeric SMILES

CCC(=O)O.CCC(=O)OC1=CC=CC(=C1)C2=NCCN2.C(=O)(N)N

InChI

InChI=1S/C12H14N2O2.C3H6O2.CH4N2O/c1-2-11(15)16-10-5-3-4-9(8-10)12-13-6-7-14-12;1-2-3(4)5;2-1(3)4/h3-5,8H,2,6-7H2,1H3,(H,13,14);2H2,1H3,(H,4,5);(H4,2,3,4)