ethyl 4-[8-(azocan-1-ylmethyl)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-3-yl]oxybenzoate

Systemtic Name: ethyl 4-[8-(azocan-1-ylmethyl)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[8-(azocan-1-ylmethyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate CAS Name: 4-[[8-(1-azocanylmethyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[8-(azocan-1-ylmethyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate Traditional Name: 4-[8-(azocan-1-ylmethyl)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-3-yl]oxybenzoic acid ethyl ester Formula: C27H28F3NO6 MolecularWeight: 519.50953

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCCCCCC4)O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCCCCCC4)O)C(F)(F)F

InChI

InChI=1S/C27H28F3NO6/c1-2-35-26(34)17-8-10-18(11-9-17)36-24-22(33)19-12-13-21(32)20(23(19)37-25(24)27(28,29)30)16-31-14-6-4-3-5-7-15-31/h8-13,32H,2-7,14-16H2,1H3