2-acetamido-3-[4-(but-3-enoylamino)phenyl]propanoic acid

Systemtic Name: 2-acetamido-3-[4-(but-3-enoylamino)phenyl]propanoic acid Openeye Name: 2-acetamido-3-[4-(but-3-enoylamino)phenyl]propanoic acid CAS Name: 2-acetamido-3-[4-(1-oxobut-3-enylamino)phenyl]propanoic acid IUPAC Name: 2-acetamido-3-[4-(but-3-enoylamino)phenyl]propanoic acid Traditional Name: 2-acetamido-3-[4-(but-3-enoylamino)phenyl]propionic acid Formula: C15H18N2O4 MolecularWeight: 290.31442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)NC(=O)CC=C)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)NC(=O)CC=C)C(=O)O

InChI

InChI=1S/C15H18N2O4/c1-3-4-14(19)17-12-7-5-11(6-8-12)9-13(15(20)21)16-10(2)18/h3,5-8,13H,1,4,9H2,2H3,(H,16,18)(H,17,19)(H,20,21)