[3-(4-fluorophenyl)-2-methyl-4-oxidanylidene-chromen-7-yl] 2-azanyl-3-methyl-pentanoate chloride

Systemtic Name: [3-(4-fluorophenyl)-2-methyl-4-oxidanylidene-chromen-7-yl] 2-azanyl-3-methyl-pentanoate chloride Openeye Name: [3-(4-fluorophenyl)-2-methyl-4-oxo-chromen-7-yl] 2-amino-3-methyl-pentanoate chloride CAS Name: 2-amino-3-methylpentanoic acid [3-(4-fluorophenyl)-2-methyl-4-oxo-1-benzopyran-7-yl] ester chloride IUPAC Name: [3-(4-fluorophenyl)-2-methyl-4-oxochromen-7-yl] 2-amino-3-methylpentanoate chloride Traditional Name: 2-amino-3-methyl-valeric acid [3-(4-fluorophenyl)-4-keto-2-methyl-chromen-7-yl] ester chloride Formula: C22H22ClFNO4- MolecularWeight: 418.865783

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C)C3=CC=C(C=C3)F)N.[Cl-]

Isomeric SMILES

CCC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C)C3=CC=C(C=C3)F)N.[Cl-]

InChI

InChI=1S/C22H22FNO4.ClH/c1-4-12(2)20(24)22(26)28-16-9-10-17-18(11-16)27-13(3)19(21(17)25)14-5-7-15(23)8-6-14;/h5-12,20H,4,24H2,1-3H3;1H/p-1