7-[[(2E,4E)-5-phenylpenta-2,4-dienoyl]amino]heptanoic acid

Systemtic Name: 7-[[(2E,4E)-5-phenylpenta-2,4-dienoyl]amino]heptanoic acid Openeye Name: 7-[[(2E,4E)-5-phenylpenta-2,4-dienoyl]amino]heptanoic acid CAS Name: 7-[[(2E,4E)-1-oxo-5-phenylpenta-2,4-dienyl]amino]heptanoic acid IUPAC Name: 7-[[(2E,4E)-5-phenylpenta-2,4-dienoyl]amino]heptanoic acid Traditional Name: 7-[[(2E,4E)-5-phenylpenta-2,4-dienoyl]amino]enanthic acid Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3/c20-17(19-15-9-2-1-6-14-18(21)22)13-8-7-12-16-10-4-3-5-11-16/h3-5,7-8,10-13H,1-2,6,9,14-15H2,(H,19,20)(H,21,22)/b12-7+,13-8+