6-[6-cyclohexyloxy-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]hexyl 2-methylprop-2-enoate

Systemtic Name: 6-[6-cyclohexyloxy-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]hexyl 2-methylprop-2-enoate Openeye Name: 6-[6-(cyclohexoxy)-1,3-dioxo-benzo[de]isoquinolin-2-yl]hexyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid 6-(6-cyclohexyloxy-1,3-dioxo-2-benzo[de]isoquinolinyl)hexyl ester IUPAC Name: 6-(6-cyclohexyloxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexyl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid 6-[6-(cyclohexoxy)-1,3-diketo-benzo[de]isoquinolin-2-yl]hexyl ester Formula: C28H33NO5 MolecularWeight: 463.56532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OCCCCCCN1C(=O)C2=C3C(=C(C=C2)OC4CCCCC4)C=CC=C3C1=O

Isomeric SMILES

CC(=C)C(=O)OCCCCCCN1C(=O)C2=C3C(=C(C=C2)OC4CCCCC4)C=CC=C3C1=O

InChI

InChI=1S/C28H33NO5/c1-19(2)28(32)33-18-9-4-3-8-17-29-26(30)22-14-10-13-21-24(34-20-11-6-5-7-12-20)16-15-23(25(21)22)27(29)31/h10,13-16,20H,1,3-9,11-12,17-18H2,2H3