3-[4-(3-methylbutanoylamino)phenyl]propanoic acid

Systemtic Name: 3-[4-(3-methylbutanoylamino)phenyl]propanoic acid Openeye Name: 3-[4-(3-methylbutanoylamino)phenyl]propanoic acid CAS Name: 3-[4-[(3-methyl-1-oxobutyl)amino]phenyl]propanoic acid IUPAC Name: 3-[4-(3-methylbutanoylamino)phenyl]propanoic acid Traditional Name: 3-[4-(isovalerylamino)phenyl]propionic acid Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3/c1-10(2)9-13(16)15-12-6-3-11(4-7-12)5-8-14(17)18/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,16)(H,17,18)