4-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]butanoic acid

Systemtic Name: 4-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]butanoic acid Openeye Name: 4-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]butanoic acid CAS Name: 4-[[(E)-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 4-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]butanoic acid Traditional Name: 4-[[(E)-3-(2,4-dimethylphenyl)acryloyl]amino]butyric acid Formula: C15H19NO3 MolecularWeight: 261.31626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)NCCCC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)NCCCC(=O)O)C

InChI

InChI=1S/C15H19NO3/c1-11-5-6-13(12(2)10-11)7-8-14(17)16-9-3-4-15(18)19/h5-8,10H,3-4,9H2,1-2H3,(H,16,17)(H,18,19)/b8-7+