(2R)-2-(cyclohexylazaniumyl)-4-[(4-fluorophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(cyclohexylazaniumyl)-4-[(4-fluorophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(cyclohexylammonio)-4-(4-fluoroanilino)-4-oxo-butanoate CAS Name: (2R)-2-(cyclohexylammonio)-4-(4-fluoroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(cyclohexylazaniumyl)-4-(4-fluoroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(cyclohexylammonio)-4-(4-fluoroanilino)-4-keto-butyrate Formula: C16H21FN2O3 MolecularWeight: 308.347943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]C(CC(=O)NC2=CC=C(C=C2)F)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)[NH2+][C@H](CC(=O)NC2=CC=C(C=C2)F)C(=O)[O-]

InChI

InChI=1S/C16H21FN2O3/c17-11-6-8-13(9-7-11)19-15(20)10-14(16(21)22)18-12-4-2-1-3-5-12/h6-9,12,14,18H,1-5,10H2,(H,19,20)(H,21,22)/t14-/m1/s1