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

Systemtic Name: ethyl 4-[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-hydroxy-2-methyl-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-hydroxy-2-methyl-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-2-methyl-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-hydroxy-4-keto-2-methyl-chromen-3-yl]oxybenzoic acid ethyl ester Formula: C29H27NO6 MolecularWeight: 485.52778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCC5=CC=CC=C5C4)O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCC5=CC=CC=C5C4)O)C

InChI

InChI=1S/C29H27NO6/c1-3-34-29(33)20-8-10-22(11-9-20)36-27-18(2)35-28-23(26(27)32)12-13-25(31)24(28)17-30-15-14-19-6-4-5-7-21(19)16-30/h4-13,31H,3,14-17H2,1-2H3