3-[3-[(4-chlorophenyl)methylcarbamoyl]-1-methyl-4-oxidanylidene-quinolin-6-yl]propyl phosphate

Systemtic Name: 3-[3-[(4-chlorophenyl)methylcarbamoyl]-1-methyl-4-oxidanylidene-quinolin-6-yl]propyl phosphate Openeye Name: 3-[3-[(4-chlorophenyl)methylcarbamoyl]-1-methyl-4-oxo-6-quinolyl]propyl phosphate CAS Name: 3-[3-[[(4-chlorophenyl)methylamino]-oxomethyl]-1-methyl-4-oxo-6-quinolinyl]propyl phosphate IUPAC Name: 3-[3-[(4-chlorophenyl)methylcarbamoyl]-1-methyl-4-oxoquinolin-6-yl]propyl phosphate Traditional Name: 3-[3-[(4-chlorobenzyl)carbamoyl]-4-keto-1-methyl-6-quinolyl]propyl phosphate Formula: C21H20ClN2O6P-2 MolecularWeight: 462.820061

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=CC(=C2)CCCOP(=O)([O-])[O-])C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=CC(=C2)CCCOP(=O)([O-])[O-])C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN2O6P/c1-24-13-18(21(26)23-12-15-4-7-16(22)8-5-15)20(25)17-11-14(6-9-19(17)24)3-2-10-30-31(27,28)29/h4-9,11,13H,2-3,10,12H2,1H3,(H,23,26)(H2,27,28,29)/p-2