(E)-3-[4-(4-azanylbutanoylamino)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(4-azanylbutanoylamino)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(4-aminobutanoylamino)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[(4-amino-1-oxobutyl)amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(4-aminobutanoylamino)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(4-aminobutanoylamino)phenyl]acrylic acid Formula: C13H16N2O3 MolecularWeight: 248.27774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)O)NC(=O)CCCN

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)O)NC(=O)CCCN

InChI

InChI=1S/C13H16N2O3/c14-9-1-2-12(16)15-11-6-3-10(4-7-11)5-8-13(17)18/h3-8H,1-2,9,14H2,(H,15,16)(H,17,18)/b8-5+