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

Systemtic Name: (E)-3-[4-(3-methylbutanoylamino)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(3-methylbutanoylamino)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(3-methylbutanoylamino)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(isovalerylamino)phenyl]acrylic acid Formula: C14H17NO3 MolecularWeight: 247.28968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C=CC(=O)O

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)/C=C/C(=O)O

InChI

InChI=1S/C14H17NO3/c1-10(2)9-13(16)15-12-6-3-11(4-7-12)5-8-14(17)18/h3-8,10H,9H2,1-2H3,(H,15,16)(H,17,18)/b8-5+