3-[3-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-4,7-dimethyl-chromen-2-one

Systemtic Name: 3-[3-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-4,7-dimethyl-chromen-2-one Openeye Name: 3-[3-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]-4,7-dimethyl-chromen-2-one CAS Name: 3-[3-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4,7-dimethyl-1-benzopyran-2-one IUPAC Name: 3-[3-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4,7-dimethylchromen-2-one Traditional Name: 3-[3-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]-4,7-dimethyl-coumarin Formula: C27H31NO5 MolecularWeight: 449.53874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CCC3=C(C4=C(C=C(C=C4)C)OC3=O)C)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CCC3=C(C4=C(C=C(C=C4)C)OC3=O)C)OCC

InChI

InChI=1S/C27H31NO5/c1-5-31-24-14-19-11-12-28(16-20(19)15-25(24)32-6-2)26(29)10-9-22-18(4)21-8-7-17(3)13-23(21)33-27(22)30/h7-8,13-15H,5-6,9-12,16H2,1-4H3