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

Systemtic Name: ethyl 4-[8-(azepan-1-ylmethyl)-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[8-(azepan-1-ylmethyl)-7-hydroxy-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[8-(1-azepanylmethyl)-7-hydroxy-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[8-(azepan-1-ylmethyl)-7-hydroxy-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[8-(azepan-1-ylmethyl)-7-hydroxy-4-keto-chromen-3-yl]oxybenzoic acid ethyl ester Formula: C25H27NO6 MolecularWeight: 437.48498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3CN4CCCCCC4)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3CN4CCCCCC4)O

InChI

InChI=1S/C25H27NO6/c1-2-30-25(29)17-7-9-18(10-8-17)32-22-16-31-24-19(23(22)28)11-12-21(27)20(24)15-26-13-5-3-4-6-14-26/h7-12,16,27H,2-6,13-15H2,1H3