ethyl 4-[[6,7-dimethoxy-2-(2-oxidanylidenechromen-3-yl)carbonyl-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate

Systemtic Name: ethyl 4-[[6,7-dimethoxy-2-(2-oxidanylidenechromen-3-yl)carbonyl-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: ethyl 4-[[6,7-dimethoxy-2-(2-oxochromene-3-carbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[6,7-dimethoxy-2-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6,7-dimethoxy-2-(2-oxochromene-3-carbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[2-(2-ketochromene-3-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester Formula: C31H29NO8 MolecularWeight: 543.56386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=CC5=CC=CC=C5OC4=O)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=CC5=CC=CC=C5OC4=O)OC)OC

InChI

InChI=1S/C31H29NO8/c1-4-38-30(34)19-9-11-22(12-10-19)39-18-25-23-17-28(37-3)27(36-2)16-20(23)13-14-32(25)29(33)24-15-21-7-5-6-8-26(21)40-31(24)35/h5-12,15-17,25H,4,13-14,18H2,1-3H3