methyl (2S)-2-[(4-fluorophenyl)methylideneamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[(4-fluorophenyl)methylideneamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[(4-fluorophenyl)methyleneamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-fluorophenyl)methylideneamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-fluorophenyl)methylideneamino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-fluorobenzylidene)amino]-3-methyl-butyric acid methyl ester Formula: C13H16FNO2 MolecularWeight: 237.270043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N=CC1=CC=C(C=C1)F

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)N=CC1=CC=C(C=C1)F

InChI

InChI=1S/C13H16FNO2/c1-9(2)12(13(16)17-3)15-8-10-4-6-11(14)7-5-10/h4-9,12H,1-3H3/t12-/m0/s1