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

Systemtic Name: 4-[6-morpholin-4-ylcarbonyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoic acid Openeye Name: 4-[6-(morpholine-4-carbonyl)-1,3-dioxo-benzo[de]isoquinolin-2-yl]butanoic acid CAS Name: 4-[6-[4-morpholinyl(oxo)methyl]-1,3-dioxo-2-benzo[de]isoquinolinyl]butanoic acid IUPAC Name: 4-[6-(morpholine-4-carbonyl)-1,3-dioxobenzo[de]isoquinolin-2-yl]butanoic acid Traditional Name: 4-[1,3-diketo-6-(morpholine-4-carbonyl)benzo[de]isoquinolin-2-yl]butyric acid Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCC(=O)O

Isomeric SMILES

C1COCCN1C(=O)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCC(=O)O

InChI

InChI=1S/C21H20N2O6/c24-17(25)5-2-8-23-20(27)15-4-1-3-13-14(6-7-16(18(13)15)21(23)28)19(26)22-9-11-29-12-10-22/h1,3-4,6-7H,2,5,8-12H2,(H,24,25)