7-[2-[(E)-2-(4-acetamido-2-chloranyl-phenyl)ethenyl]-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-[(E)-2-(4-acetamido-2-chloranyl-phenyl)ethenyl]-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-[(E)-2-(4-acetamido-2-chloro-phenyl)vinyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(E)-2-(4-acetamido-2-chlorophenyl)ethenyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-[(E)-2-(4-acetamido-2-chlorophenyl)ethenyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(E)-2-(4-acetamido-2-chloro-phenyl)vinyl]-5-keto-cyclopentyl]enanthic acid Formula: C22H28ClNO4 MolecularWeight: 405.91502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C=CC2CCC(=O)C2CCCCCCC(=O)O)Cl

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)/C=C/C2CCC(=O)C2CCCCCCC(=O)O)Cl

InChI

InChI=1S/C22H28ClNO4/c1-15(25)24-18-12-10-17(20(23)14-18)9-8-16-11-13-21(26)19(16)6-4-2-3-5-7-22(27)28/h8-10,12,14,16,19H,2-7,11,13H2,1H3,(H,24,25)(H,27,28)/b9-8+