4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-7-methoxy-chromen-2-one

Systemtic Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-7-methoxy-chromen-2-one Openeye Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-7-methoxy-chromen-2-one CAS Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-7-methoxychromen-2-one Traditional Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-7-methoxy-coumarin Formula: C20H25NO3 MolecularWeight: 327.4174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCC4CCCCC4C3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCC4CCCCC4C3

InChI

InChI=1S/C20H25NO3/c1-23-17-6-7-18-16(10-20(22)24-19(18)11-17)13-21-9-8-14-4-2-3-5-15(14)12-21/h6-7,10-11,14-15H,2-5,8-9,12-13H2,1H3