(2S)-2-[(4-fluorophenyl)methylamino]-4-(4-methylphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-2-[(4-fluorophenyl)methylamino]-4-(4-methylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: (2S)-2-[(4-fluorophenyl)methylamino]-4-oxo-4-(p-tolyl)butanoic acid CAS Name: (2S)-2-[(4-fluorophenyl)methylamino]-4-(4-methylphenyl)-4-oxobutanoic acid IUPAC Name: (2S)-2-[(4-fluorophenyl)methylamino]-4-(4-methylphenyl)-4-oxobutanoic acid Traditional Name: (2S)-2-[(4-fluorobenzyl)amino]-4-keto-4-(p-tolyl)butyric acid Formula: C18H18FNO3 MolecularWeight: 315.338823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[C@@H](C(=O)O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C18H18FNO3/c1-12-2-6-14(7-3-12)17(21)10-16(18(22)23)20-11-13-4-8-15(19)9-5-13/h2-9,16,20H,10-11H2,1H3,(H,22,23)/t16-/m0/s1