ethyl 4-[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate

Systemtic Name: ethyl 4-[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-hydroxy-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-hydroxy-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-hydroxy-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-hydroxy-4-keto-chromen-3-yl]oxybenzoic acid ethyl ester Formula: C28H25NO6 MolecularWeight: 471.5012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3CN4CCC5=CC=CC=C5C4)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3CN4CCC5=CC=CC=C5C4)O

InChI

InChI=1S/C28H25NO6/c1-2-33-28(32)19-7-9-21(10-8-19)35-25-17-34-27-22(26(25)31)11-12-24(30)23(27)16-29-14-13-18-5-3-4-6-20(18)15-29/h3-12,17,30H,2,13-16H2,1H3