phenethyl (2S)-3-(3-methylimidazol-4-yl)-2-(prop-2-enoylamino)propanoate

Systemtic Name: phenethyl (2S)-3-(3-methylimidazol-4-yl)-2-(prop-2-enoylamino)propanoate Openeye Name: phenethyl (2S)-3-(3-methylimidazol-4-yl)-2-(prop-2-enoylamino)propanoate CAS Name: (2S)-3-(3-methyl-4-imidazolyl)-2-(1-oxoprop-2-enylamino)propanoic acid phenethyl ester IUPAC Name: phenethyl (2S)-3-(3-methylimidazol-4-yl)-2-(prop-2-enoylamino)propanoate Traditional Name: (2S)-2-acrylamido-3-(3-methylimidazol-4-yl)propionic acid phenethyl ester Formula: C18H21N3O3 MolecularWeight: 327.37764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CC(C(=O)OCCC2=CC=CC=C2)NC(=O)C=C

Isomeric SMILES

CN1C=NC=C1C[C@@H](C(=O)OCCC2=CC=CC=C2)NC(=O)C=C

InChI

InChI=1S/C18H21N3O3/c1-3-17(22)20-16(11-15-12-19-13-21(15)2)18(23)24-10-9-14-7-5-4-6-8-14/h3-8,12-13,16H,1,9-11H2,2H3,(H,20,22)/t16-/m0/s1