7-acetyloxy-3-[[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]methyl-oxidanyl-phosphoryl]-2-(2-methylpropyl)heptanoic acid

Systemtic Name: 7-acetyloxy-3-[[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]methyl-oxidanyl-phosphoryl]-2-(2-methylpropyl)heptanoic acid Openeye Name: 7-acetoxy-3-[(1,3-dioxobenzo[de]isoquinolin-2-yl)methyl-hydroxy-phosphoryl]-2-isobutyl-heptanoic acid CAS Name: 7-acetyloxy-3-[(1,3-dioxo-2-benzo[de]isoquinolinyl)methyl-hydroxyphosphoryl]-2-(2-methylpropyl)heptanoic acid IUPAC Name: 7-acetyloxy-3-[(1,3-dioxobenzo[de]isoquinolin-2-yl)methyl-hydroxyphosphoryl]-2-(2-methylpropyl)heptanoic acid Traditional Name: 7-acetoxy-3-[(1,3-diketobenzo[de]isoquinolin-2-yl)methyl-hydroxy-phosphoryl]-2-isobutyl-enanthic acid Formula: C26H32NO8P MolecularWeight: 517.507941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CCCCOC(=O)C)P(=O)(CN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O)O)C(=O)O

Isomeric SMILES

CC(C)CC(C(CCCCOC(=O)C)P(=O)(CN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O)O)C(=O)O

InChI

InChI=1S/C26H32NO8P/c1-16(2)14-21(26(31)32)22(12-4-5-13-35-17(3)28)36(33,34)15-27-24(29)19-10-6-8-18-9-7-11-20(23(18)19)25(27)30/h6-11,16,21-22H,4-5,12-15H2,1-3H3,(H,31,32)(H,33,34)