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

Systemtic Name: methyl 4-[8-(azepan-1-ylmethyl)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: methyl 4-[8-(azepan-1-ylmethyl)-7-hydroxy-2-methyl-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[8-(1-azepanylmethyl)-7-hydroxy-2-methyl-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[8-(azepan-1-ylmethyl)-7-hydroxy-2-methyl-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[8-(azepan-1-ylmethyl)-7-hydroxy-4-keto-2-methyl-chromen-3-yl]oxybenzoic acid methyl ester Formula: C25H27NO6 MolecularWeight: 437.48498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCCCC3)OC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCCCC3)OC4=CC=C(C=C4)C(=O)OC

InChI

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