4-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]butanoic acid

Systemtic Name: 4-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]butanoic acid Openeye Name: 4-[1,3-dioxo-6-(1-piperidyl)benzo[de]isoquinolin-2-yl]butanoic acid CAS Name: 4-[1,3-dioxo-6-(1-piperidinyl)-2-benzo[de]isoquinolinyl]butanoic acid IUPAC Name: 4-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)butanoic acid Traditional Name: 4-(1,3-diketo-6-piperidino-benzo[de]isoquinolin-2-yl)butyric acid Formula: C21H22N2O4 MolecularWeight: 366.41038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCC(=O)O

Isomeric SMILES

C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCC(=O)O

InChI

InChI=1S/C21H22N2O4/c24-18(25)8-5-13-23-20(26)15-7-4-6-14-17(22-11-2-1-3-12-22)10-9-16(19(14)15)21(23)27/h4,6-7,9-10H,1-3,5,8,11-13H2,(H,24,25)