(2R)-4-(4-cyclohexylphenyl)-2-[(4-fluorophenyl)methylazaniumyl]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-(4-cyclohexylphenyl)-2-[(4-fluorophenyl)methylazaniumyl]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-cyclohexylphenyl)-2-[(4-fluorophenyl)methylammonio]-4-oxo-butanoate CAS Name: (2R)-4-(4-cyclohexylphenyl)-2-[(4-fluorophenyl)methylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(4-cyclohexylphenyl)-2-[(4-fluorophenyl)methylazaniumyl]-4-oxobutanoate Traditional Name: (2R)-4-(4-cyclohexylphenyl)-2-[(4-fluorobenzyl)ammonio]-4-keto-butyrate Formula: C23H26FNO3 MolecularWeight: 383.455843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CC(C(=O)[O-])[NH2+]CC3=CC=C(C=C3)F

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)C[C@H](C(=O)[O-])[NH2+]CC3=CC=C(C=C3)F

InChI

InChI=1S/C23H26FNO3/c24-20-12-6-16(7-13-20)15-25-21(23(27)28)14-22(26)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h6-13,17,21,25H,1-5,14-15H2,(H,27,28)/t21-/m1/s1