2-[1-(1H-imidazol-5-yl)ethyl]-3-oxidanylidene-4-phenylmethoxy-butanoic acid

Systemtic Name: 2-[1-(1H-imidazol-5-yl)ethyl]-3-oxidanylidene-4-phenylmethoxy-butanoic acid Openeye Name: 4-benzyloxy-2-[1-(1H-imidazol-5-yl)ethyl]-3-oxo-butanoic acid CAS Name: 2-[1-(1H-imidazol-5-yl)ethyl]-3-oxo-4-phenylmethoxybutanoic acid IUPAC Name: 2-[1-(1H-imidazol-5-yl)ethyl]-3-oxo-4-phenylmethoxybutanoic acid Traditional Name: 4-benzoxy-2-[1-(1H-imidazol-5-yl)ethyl]-3-keto-butyric acid Formula: C16H18N2O4 MolecularWeight: 302.32512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CN1)C(C(=O)COCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C1=CN=CN1)C(C(=O)COCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H18N2O4/c1-11(13-7-17-10-18-13)15(16(20)21)14(19)9-22-8-12-5-3-2-4-6-12/h2-7,10-11,15H,8-9H2,1H3,(H,17,18)(H,20,21)