3-(1-phenylethyl)imidazole-4-carboxylate hydrochloride

Systemtic Name: 3-(1-phenylethyl)imidazole-4-carboxylate hydrochloride Openeye Name: 3-(1-phenylethyl)imidazole-4-carboxylate hydrochloride CAS Name: 3-(1-phenylethyl)-4-imidazolecarboxylate hydrochloride IUPAC Name: 3-(1-phenylethyl)imidazole-4-carboxylate hydrochloride Traditional Name: 3-(1-phenylethyl)imidazole-4-carboxylate hydrochloride Formula: C12H12ClN2O2- MolecularWeight: 251.68888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C=NC=C2C(=O)[O-].Cl

Isomeric SMILES

CC(C1=CC=CC=C1)N2C=NC=C2C(=O)[O-].Cl

InChI

InChI=1S/C12H12N2O2.ClH/c1-9(10-5-3-2-4-6-10)14-8-13-7-11(14)12(15)16;/h2-9H,1H3,(H,15,16);1H/p-1