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

Systemtic Name: (E)-3-[4-(3-methylbutanoyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(3-methylbutanoyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(3-methyl-1-oxobutyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(3-methylbutanoyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-(4-isovalerylphenyl)acrylic acid Formula: C14H16O3 MolecularWeight: 232.27504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O3/c1-10(2)9-13(15)12-6-3-11(4-7-12)5-8-14(16)17/h3-8,10H,9H2,1-2H3,(H,16,17)/b8-5+