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

Systemtic Name: methyl 4-[8-(azepan-1-ylmethyl)-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C24H25NO6 MolecularWeight: 423.4584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO6/c1-29-24(28)16-6-8-17(9-7-16)31-21-15-30-23-18(22(21)27)10-11-20(26)19(23)14-25-12-4-2-3-5-13-25/h6-11,15,26H,2-5,12-14H2,1H3