4-[[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]amino]butanoic acid

Systemtic Name: 4-[[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]amino]butanoic acid Openeye Name: 4-[[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]amino]butanoic acid CAS Name: 4-[[(E)-3-(1,3-benzoxazol-2-yl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 4-[[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]amino]butanoic acid Traditional Name: 4-[[(E)-3-(1,3-benzoxazol-2-yl)acryloyl]amino]butyric acid Formula: C14H14N2O4 MolecularWeight: 274.27196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C=CC(=O)NCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)/C=C/C(=O)NCCCC(=O)O

InChI

InChI=1S/C14H14N2O4/c17-12(15-9-3-6-14(18)19)7-8-13-16-10-4-1-2-5-11(10)20-13/h1-2,4-5,7-8H,3,6,9H2,(H,15,17)(H,18,19)/b8-7+