2-(3-methyl-1,2-diazirin-3-yl)ethyl 3-[(1S)-1-phenylethyl]imidazole-4-carboxylate

Systemtic Name: 2-(3-methyl-1,2-diazirin-3-yl)ethyl 3-[(1S)-1-phenylethyl]imidazole-4-carboxylate Openeye Name: 2-(3-methyldiazirin-3-yl)ethyl 3-[(1S)-1-phenylethyl]imidazole-4-carboxylate CAS Name: 3-[(1S)-1-phenylethyl]-4-imidazolecarboxylic acid 2-(3-methyl-3-diazirinyl)ethyl ester IUPAC Name: 2-(3-methyldiazirin-3-yl)ethyl 3-[(1S)-1-phenylethyl]imidazole-4-carboxylate Traditional Name: 3-[(1S)-1-phenylethyl]imidazole-4-carboxylic acid 2-(3-methyldiazirin-3-yl)ethyl ester Formula: C16H18N4O2 MolecularWeight: 298.33972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C=NC=C2C(=O)OCCC3(N=N3)C

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N2C=NC=C2C(=O)OCCC3(N=N3)C

InChI

InChI=1S/C16H18N4O2/c1-12(13-6-4-3-5-7-13)20-11-17-10-14(20)15(21)22-9-8-16(2)18-19-16/h3-7,10-12H,8-9H2,1-2H3/t12-/m0/s1