(4-chloranylnaphthalen-1-yl) (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (4-chloranylnaphthalen-1-yl) (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (4-chloro-1-naphthyl) (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (4-chloro-1-naphthalenyl) ester IUPAC Name: (4-chloronaphthalen-1-yl) (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid (4-chloro-1-naphthyl) ester Formula: C22H19ClFNO3 MolecularWeight: 399.842563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC=C(C2=CC=CC=C21)Cl)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)[C@@H](C(=O)OC1=CC=C(C2=CC=CC=C21)Cl)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H19ClFNO3/c1-13(2)20(25-21(26)16-9-5-6-10-18(16)24)22(27)28-19-12-11-17(23)14-7-3-4-8-15(14)19/h3-13,20H,1-2H3,(H,25,26)/t20-/m0/s1