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

Systemtic Name: 6-[6-cyclohexyloxy-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]hexyl prop-2-enoate Openeye Name: 6-[6-(cyclohexoxy)-1,3-dioxo-benzo[de]isoquinolin-2-yl]hexyl prop-2-enoate CAS Name: 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 prop-2-enoate Traditional Name: acrylic acid 6-[6-(cyclohexoxy)-1,3-diketo-benzo[de]isoquinolin-2-yl]hexyl ester Formula: C27H31NO5 MolecularWeight: 449.53874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO5/c1-2-24(29)32-18-9-4-3-8-17-28-26(30)21-14-10-13-20-23(33-19-11-6-5-7-12-19)16-15-22(25(20)21)27(28)31/h2,10,13-16,19H,1,3-9,11-12,17-18H2