[3-(4-fluorophenyl)-2-methyl-4-oxidanylidene-chromen-7-yl] 2-azanyl-3-methyl-butanoate hydrochloride

Systemtic Name: [3-(4-fluorophenyl)-2-methyl-4-oxidanylidene-chromen-7-yl] 2-azanyl-3-methyl-butanoate hydrochloride Openeye Name: [3-(4-fluorophenyl)-2-methyl-4-oxo-chromen-7-yl] 2-amino-3-methyl-butanoate hydrochloride CAS Name: 2-amino-3-methylbutanoic acid [3-(4-fluorophenyl)-2-methyl-4-oxo-1-benzopyran-7-yl] ester hydrochloride IUPAC Name: [3-(4-fluorophenyl)-2-methyl-4-oxochromen-7-yl] 2-amino-3-methylbutanoate hydrochloride Traditional Name: 2-amino-3-methyl-butyric acid [3-(4-fluorophenyl)-4-keto-2-methyl-chromen-7-yl] ester hydrochloride Formula: C21H21ClFNO4 MolecularWeight: 405.847143

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H20FNO4.ClH/c1-11(2)19(23)21(25)27-15-8-9-16-17(10-15)26-12(3)18(20(16)24)13-4-6-14(22)7-5-13;/h4-11,19H,23H2,1-3H3;1H