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

Systemtic Name: (E)-3-[4-(2-methylpentanoylamino)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(2-methylpentanoylamino)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[(2-methyl-1-oxopentyl)amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(2-methylpentanoylamino)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(2-methylpentanoylamino)phenyl]acrylic acid Formula: C15H19NO3 MolecularWeight: 261.31626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO3/c1-3-4-11(2)15(19)16-13-8-5-12(6-9-13)7-10-14(17)18/h5-11H,3-4H2,1-2H3,(H,16,19)(H,17,18)/b10-7+