3,3-dimethyl-4-[4-[8-(trifluoromethyl)-6H-benzo[c][1]benzoxepin-11-ylidene]piperidin-1-yl]butanoic acid

Systemtic Name: 3,3-dimethyl-4-[4-[8-(trifluoromethyl)-6H-benzo[c][1]benzoxepin-11-ylidene]piperidin-1-yl]butanoic acid Openeye Name: 3,3-dimethyl-4-[4-[8-(trifluoromethyl)-6H-benzo[c][1]benzoxepin-11-ylidene]-1-piperidyl]butanoic acid CAS Name: 3,3-dimethyl-4-[4-[8-(trifluoromethyl)-6H-benzo[c][1]benzoxepin-11-ylidene]-1-piperidinyl]butanoic acid IUPAC Name: 3,3-dimethyl-4-[4-[8-(trifluoromethyl)-6H-benzo[c][1]benzoxepin-11-ylidene]piperidin-1-yl]butanoic acid Traditional Name: 3,3-dimethyl-4-[4-[8-(trifluoromethyl)-6H-benzo[c][1]benzoxepin-11-ylidene]piperidino]butyric acid Formula: C26H28F3NO3 MolecularWeight: 459.50063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)O)CN1CCC(=C2C3=C(COC4=CC=CC=C42)C=C(C=C3)C(F)(F)F)CC1

Isomeric SMILES

CC(C)(CC(=O)O)CN1CCC(=C2C3=C(COC4=CC=CC=C42)C=C(C=C3)C(F)(F)F)CC1

InChI

InChI=1S/C26H28F3NO3/c1-25(2,14-23(31)32)16-30-11-9-17(10-12-30)24-20-8-7-19(26(27,28)29)13-18(20)15-33-22-6-4-3-5-21(22)24/h3-8,13H,9-12,14-16H2,1-2H3,(H,31,32)