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

Systemtic Name: [3-(4-fluorophenyl)-2-methyl-4-oxidanylidene-chromen-7-yl] 2-azanyl-4-methyl-pentanoate chloride Openeye Name: [3-(4-fluorophenyl)-2-methyl-4-oxo-chromen-7-yl] 2-amino-4-methyl-pentanoate chloride CAS Name: 2-amino-4-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-4-methylpentanoate chloride Traditional Name: 2-amino-4-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:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CC(C)C)N)C3=CC=C(C=C3)F.[Cl-]

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CC(C)C)N)C3=CC=C(C=C3)F.[Cl-]

InChI

InChI=1S/C22H22FNO4.ClH/c1-12(2)10-18(24)22(26)28-16-8-9-17-19(11-16)27-13(3)20(21(17)25)14-4-6-15(23)7-5-14;/h4-9,11-12,18H,10,24H2,1-3H3;1H/p-1