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

Systemtic Name: ethyl 4-[8-(azepan-1-ylmethyl)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[8-(azepan-1-ylmethyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate CAS Name: 4-[[8-(1-azepanylmethyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[8-(azepan-1-ylmethyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate Traditional Name: 4-[8-(azepan-1-ylmethyl)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-3-yl]oxybenzoic acid ethyl ester Formula: C26H26F3NO6 MolecularWeight: 505.48295

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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(=C3CN4CCCCCC4)O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCCCCC4)O)C(F)(F)F

InChI

InChI=1S/C26H26F3NO6/c1-2-34-25(33)16-7-9-17(10-8-16)35-23-21(32)18-11-12-20(31)19(15-30-13-5-3-4-6-14-30)22(18)36-24(23)26(27,28)29/h7-12,31H,2-6,13-15H2,1H3