3-[1,3-bis(oxidanylidene)-2-phenylmethoxy-benzo[de]isoquinolin-5-yl]oxypropanoic acid

Systemtic Name: 3-[1,3-bis(oxidanylidene)-2-phenylmethoxy-benzo[de]isoquinolin-5-yl]oxypropanoic acid Openeye Name: 3-(2-benzyloxy-1,3-dioxo-benzo[de]isoquinolin-5-yl)oxypropanoic acid CAS Name: 3-[(1,3-dioxo-2-phenylmethoxy-5-benzo[de]isoquinolinyl)oxy]propanoic acid IUPAC Name: 3-(1,3-dioxo-2-phenylmethoxybenzo[de]isoquinolin-5-yl)oxypropanoic acid Traditional Name: 3-(2-benzoxy-1,3-diketo-benzo[de]isoquinolin-5-yl)oxypropionic acid Formula: C22H17NO6 MolecularWeight: 391.37348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CON2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)OCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CON2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)OCCC(=O)O

InChI

InChI=1S/C22H17NO6/c24-19(25)9-10-28-16-11-15-7-4-8-17-20(15)18(12-16)22(27)23(21(17)26)29-13-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,24,25)