12-[[(E)-4-phenylbut-3-enoyl]amino]dodecanoic acid

Systemtic Name: 12-[[(E)-4-phenylbut-3-enoyl]amino]dodecanoic acid Openeye Name: 12-[[(E)-4-phenylbut-3-enoyl]amino]dodecanoic acid CAS Name: 12-[[(E)-1-oxo-4-phenylbut-3-enyl]amino]dodecanoic acid IUPAC Name: 12-[[(E)-4-phenylbut-3-enoyl]amino]dodecanoic acid Traditional Name: 12-[[(E)-4-phenylbut-3-enoyl]amino]lauric acid Formula: C22H33NO3 MolecularWeight: 359.50232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO3/c24-21(17-13-16-20-14-9-8-10-15-20)23-19-12-7-5-3-1-2-4-6-11-18-22(25)26/h8-10,13-16H,1-7,11-12,17-19H2,(H,23,24)(H,25,26)/b16-13+