3-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]propyl 2,2-dimethylpropanoate

Systemtic Name: 3-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]propyl 2,2-dimethylpropanoate Openeye Name: 3-[1,3-dioxo-6-(1-piperidyl)benzo[de]isoquinolin-2-yl]propyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 3-[1,3-dioxo-6-(1-piperidinyl)-2-benzo[de]isoquinolinyl]propyl ester IUPAC Name: 3-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)propyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 3-(1,3-diketo-6-piperidino-benzo[de]isoquinolin-2-yl)propyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCCN1C(=O)C2=C3C(=C(C=C2)N4CCCCC4)C=CC=C3C1=O

Isomeric SMILES

CC(C)(C)C(=O)OCCCN1C(=O)C2=C3C(=C(C=C2)N4CCCCC4)C=CC=C3C1=O

InChI

InChI=1S/C25H30N2O4/c1-25(2,3)24(30)31-16-8-15-27-22(28)18-10-7-9-17-20(26-13-5-4-6-14-26)12-11-19(21(17)18)23(27)29/h7,9-12H,4-6,8,13-16H2,1-3H3