4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-ethyl-chromen-2-one

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-ethyl-chromen-2-one Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-ethyl-chromen-2-one CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-ethylchromen-2-one Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-ethyl-coumarin Formula: C21H21NO2 MolecularWeight: 319.39694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H21NO2/c1-2-15-7-8-19-18(12-21(23)24-20(19)11-15)14-22-10-9-16-5-3-4-6-17(16)13-22/h3-8,11-12H,2,9-10,13-14H2,1H3