(5-methoxy-1-methyl-7-oxidanylidene-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-6-yl) benzoate

Systemtic Name: (5-methoxy-1-methyl-7-oxidanylidene-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-6-yl) benzoate Openeye Name: (5-methoxy-1-methyl-7-oxo-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-6-yl) benzoate CAS Name: benzoic acid (5-methoxy-1-methyl-7-oxo-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-6-yl) ester IUPAC Name: (5-methoxy-1-methyl-7-oxo-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-6-yl) benzoate Traditional Name: benzoic acid (7-keto-5-methoxy-1-methyl-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-6-yl) ester Formula: C21H21NO4 MolecularWeight: 351.39574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C3=C2C1CCC3=O)OC(=O)C4=CC=CC=C4)OC

Isomeric SMILES

CN1CCC2=CC(=C(C3=C2C1CCC3=O)OC(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C21H21NO4/c1-22-11-10-14-12-17(25-2)20(19-16(23)9-8-15(22)18(14)19)26-21(24)13-6-4-3-5-7-13/h3-7,12,15H,8-11H2,1-2H3