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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3/c1-10(2)8-13(16)15-12-5-3-4-11(9-12)6-7-14(17)18/h3-7,9-10H,8H2,1-2H3,(H,15,16)(H,17,18)/b7-6+