ethyl 4-[8-[[bis(2-methylpropyl)amino]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate

Systemtic Name: ethyl 4-[8-[[bis(2-methylpropyl)amino]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[8-[(diisobutylamino)methyl]-7-hydroxy-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[8-[[bis(2-methylpropyl)amino]methyl]-7-hydroxy-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[8-[[bis(2-methylpropyl)amino]methyl]-7-hydroxy-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[8-[(diisobutylamino)methyl]-7-hydroxy-4-keto-chromen-3-yl]oxybenzoic acid ethyl ester Formula: C27H33NO6 MolecularWeight: 467.55402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3CN(CC(C)C)CC(C)C)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3CN(CC(C)C)CC(C)C)O

InChI

InChI=1S/C27H33NO6/c1-6-32-27(31)19-7-9-20(10-8-19)34-24-16-33-26-21(25(24)30)11-12-23(29)22(26)15-28(13-17(2)3)14-18(4)5/h7-12,16-18,29H,6,13-15H2,1-5H3